Carbon dioxide
- Formula: CO2
- Molecular weight: 44.0095
- IUPAC Standard InChIKey: CURLTUGMZLYLDI-UHFFFAOYSA-N
- CAS Registry Number: 124-38-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Isotopologues:
- Other names: Carbon oxide (CO2); Carbonic acid, gas; Carbonic anhydride; Dry ice; CO2; Anhydride carbonique; Carbonica; Kohlendioxyd; Kohlensaure; UN 1013; UN 1845; UN 2187; Cardice; Dricold; Drikold; Carbonic acid anhydride; Khladon 744; R 744
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 143
- Henry's Law data
- Gas Chromatography
- Fluid Properties
- Data at other public NIST sites:
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -94.051 ± 0.031 | kcal/mol | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
ΔfH°gas | -94.054 | kcal/mol | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Quantity | Value | Units | Method | Reference | Comment |
S°gas,1 bar | 51.0958 ± 0.0024 | cal/mol*K | Review | Cox, Wagman, et al., 1984 | CODATA Review value |
S°gas,1 bar | 51.097 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in September, 1965 |
Gas Phase Heat Capacity (Shomate Equation)
Cp° = A + B*t + C*t2 + D*t3 +
E/t2
H° − H°298.15= A*t + B*t2/2 +
C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 −
E/(2*t2) + G
Cp = heat capacity (cal/mol*K)
H° = standard enthalpy (kcal/mol)
S° = standard entropy (cal/mol*K)
t = temperature (K) / 1000.
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Temperature (K) | 298. to 1200. | 1200. to 6000. |
---|---|---|
A | 5.974511 | 13.90210 |
B | 13.19000 | 0.650113 |
C | -8.052431 | -0.117660 |
D | 1.899711 | 0.009284 |
E | -0.032657 | -1.540941 |
F | -96.46451 | -101.7970 |
G | 54.55141 | 63.00490 |
H | -94.05411 | -94.05411 |
Reference | Chase, 1998 | Chase, 1998 |
Comment | Data last reviewed in September, 1965 | Data last reviewed in September, 1965 |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 216.58 | K | N/A | Marsh, 1987 | Uncertainty assigned by TRC = 0.008 K; recommended as fixed point for thermometery; TRC |
Ttriple | 216.58 | K | N/A | Angus, Armstrong, et al., 1976 | Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ptriple | 5.117 | atm | N/A | Angus, Armstrong, et al., 1976 | Uncertainty assigned by TRC = 0.005 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 304.18 | K | N/A | Suehiro, Nakajima, et al., 1996 | Uncertainty assigned by TRC = 0.04 K; TRC |
Tc | 304.1 | K | N/A | Weber, 1989 | Uncertainty assigned by TRC = 0.1 K; TRC |
Tc | 304.35 | K | N/A | Li and Kiran, 1988 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 304.200 | K | N/A | Morrison, 1981 | Uncertainty assigned by TRC = 0.02 K; TRC |
Tc | 304.23 | K | N/A | Efremova and Shvarts, 1972 | Visual, agreement with literature evidence of sample purity; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 72.83 | atm | N/A | Suehiro, Nakajima, et al., 1996 | Uncertainty assigned by TRC = 0.15 atm; TRC |
Pc | 72.44 | atm | N/A | Li and Kiran, 1988 | Uncertainty assigned by TRC = 0.49 atm; TRC |
Pc | 72.860 | atm | N/A | Angus, Armstrong, et al., 1976 | Uncertainty assigned by TRC = 0.005 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.0919 | l/mol | N/A | Li and Kiran, 1988 | Uncertainty assigned by TRC = 0.001 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 10.6 | mol/l | N/A | Suehiro, Nakajima, et al., 1996 | Uncertainty assigned by TRC = 0.05 mol/l; TRC |
ρc | 10.590 | mol/l | N/A | Angus, Armstrong, et al., 1976 | Uncertainty assigned by TRC = 0.007 mol/l; TRC |
ρc | 10.8 | mol/l | N/A | Andrizhievskii and Chernova, 1970 | Uncertainty assigned by TRC = 0.2 mol/l; TRC |
ρc | 10.64 | mol/l | N/A | Lowry and Erickson, 1927 | Uncertainty assigned by TRC = 0.034 mol/l; from a plot of (DN(liq) + DN(g))/2 based on exp. measurement and extrapolated to 31.0 deg C; TRC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
3.99 | 288. | A | Stephenson and Malanowski, 1987 | Based on data from 273. to 304. K.; AC |
3.92 | 258. | A | Stephenson and Malanowski, 1987 | Based on data from 216. to 273. K.; AC |
3.94 | 282. | N/A | Boublík and Aim, 1972 | Based on data from 267. to 303. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
154.26 to 195.89 | 6.80657 | 1301.679 | -3.494 | Giauque and Egan, 1937 | Coefficents calculated by NIST from author's data. |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.24 | 207. | A | Stephenson and Malanowski, 1987 | Based on data from 198. to 216. K.; AC |
6.50 ± 0.1 | 70. to 102. | LE | Bryson, Cazcarra, et al., 1974 | AC |
6.19 | 188. | N/A | Ambrose, 1956 | Based on data from 179. to 198. K.; AC |
6.29 | 167. | A | Stull, 1947 | Based on data from 139. to 195. K.; AC |
6.02 | 195. | N/A | Giauque and Egan, 1937, 2 | Based on data from 154. to 196. K.; AC |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Reactions 1 to 50
By formula: O2+ + CO2 = (O2+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 ± 0.9 | kcal/mol | AVG | N/A | Average of 4 out of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.5 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrS° | 18.9 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=9.80 kcal/mol; M |
ΔrS° | 20.7 | cal/mol*K | N/A | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970; M |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 | kcal/mol | DT | Rakshit and Warneck, 1981 | gas phase; M |
ΔrG° | 4.3 | kcal/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 600. | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
By formula: CO2+ + CO2 = (CO2+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. ± 1. | kcal/mol | AVG | N/A | Average of 7 out of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrS° | 18.6 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=15.9 kcal/mol; M |
ΔrS° | 19.5 | cal/mol*K | DT | Van Koppen, Kemper, et al., 1983 | gas phase; M |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Headley, Mason, et al., 1982 | gas phase; M |
ΔrS° | 21.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: O- + CO2 = (O- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48. ± 10. | kcal/mol | AVG | N/A | Average of 8 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 48.0 ± 5.0 | kcal/mol | IMRE | Adams and Bohme, 1970 | gas phase; O3- + CO2 <=> CO3- + O2; B |
By formula: I- + CO2 = (I- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.7 ± 1.8 | kcal/mol | N/A | Piani, Becucci, et al., 2008 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
ΔrH° | 4.0 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
ΔrH° | 3.20 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 5.60 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
ΔrS° | 18.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrG° | 0.80 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B,M |
ΔrG° | 0.40 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: O2- + CO2 = (O2- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.00 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
ΔrH° | 17.7 ± 1.8 | kcal/mol | IMRE | Pack and Phelps, 1966 | gas phase; Corrected with more recent EA(O2) = 0.45 eV; B,M |
ΔrH° | 25.4 ± 4.6 | kcal/mol | PDis | Vestal and Mauclaire, 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
ΔrS° | 21. | cal/mol*K | DT | Pack and Phelps, 1966 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.7 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
ΔrG° | 12.2 ± 1.2 | kcal/mol | IMRE | Pack and Phelps, 1966 | gas phase; Corrected with more recent EA(O2) = 0.45 eV; B |
ΔrG° | 10.0 | kcal/mol | FA | Adams and Bohme, 1970 | gas phase; switching reaction(O2-)O2; Conway and Nesbit, 1968; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.9 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(O2-)H2O; Arshadi and Kebarle, 1970; M |
By formula: F- + CO2 = (F- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.07 | kcal/mol | N/A | Arnold, Bradforth, et al., 1995, 2 | gas phase; B |
ΔrH° | 32.3 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
ΔrH° | 31.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
ΔrH° | 33.0 ± 3.0 | kcal/mol | IMRE | McMahon and Northcott, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
ΔrS° | 24. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.3 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrG° | 24.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
ΔrG° | 11.6 | kcal/mol | FA | Spears and Ferguson, 1973 | gas phase; DG>; M |
By formula: Cl- + CO2 = (Cl- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.80 ± 0.50 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
ΔrH° | 7.60 | kcal/mol | TDEq | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
ΔrH° | 8.00 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.10 | kcal/mol | TDEq | Hiraoka, Shoda, et al., 1986 | gas phase; B |
ΔrG° | 2.10 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (I- • 2CO2) + CO2 = (I- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.20 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 3.7 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.6 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.6 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (I- • 4CO2) + CO2 = (I- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.70 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 3.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.3 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (I- • CO2) + CO2 = (I- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.6 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.7 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
ΔrH° | 2.60 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (I- • 5CO2) + CO2 = (I- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.0 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 1.80 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 4.2 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1987 | gas phase; Entropy change calculated or estimated; M |
By formula: (Na+ • CO2) + H2O = (Na+ • H2O • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.7 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
ΔrH° | 22.9 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.3 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
ΔrS° | 25.6 | cal/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; From thermochemical cycle(Na+) 2H2O; Dzidic and Kebarle, 1970, Peterson, Mark, et al., 1984; M |
By formula: CHO2+ + CO2 = (CHO2+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrH° | 18.0 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrH° | 19.1 | kcal/mol | PHPMS | Jennings, Headley, et al., 1982 | gas phase; M |
ΔrH° | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrS° | 27.1 | cal/mol*K | PHPMS | Jennings, Headley, et al., 1982 | gas phase; M |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (I- • 3CO2) + CO2 = (I- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.80 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 3.6 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.5 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.0 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: NO2- + CO2 = (NO2- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.30 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
ΔrH° | 9.30 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
ΔrS° | 24.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.1 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
ΔrG° | 2.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: NO- + CO2 = (NO- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 ± 0.3 | kcal/mol | DT | Illies, 1988 | gas phase; ΔrH(0 K)=8.60 kcal/mol; M |
ΔrH° | 7.7 ± 0.4 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
ΔrH° | 13.8 | kcal/mol | FA | Dunkin, Fehsenfeld, et al., 1971 | gas phase; switching reaction(NO+)NO, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=8.60 kcal/mol; M |
ΔrS° | 13.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (Br- • CO2) + CO2 = (Br- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 6.0 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.3 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (CO2+ • CO2) + CO2 = (CO2+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.6 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrH° | 8.3 | kcal/mol | EI | Cameron, Aitken, et al., 1994 | gas phase; M |
ΔrH° | 3.3 | kcal/mol | PI | Linn and Ng, 1981 | gas phase; M |
ΔrH° | 6.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.1 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrS° | 24.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: Br- + CO2 = (Br- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.3 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
ΔrH° | 6.7 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (Cl- • 2CO2) + CO2 = (Cl- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrH° | 6.80 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.1 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrG° | 0.10 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B |
By formula: (Cl- • CO2) + CO2 = (Cl- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrH° | 7.20 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrG° | 1.00 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B |
By formula: H3O+ + CO2 = (H3O+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrH° | 15.3 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrH° | 14.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrS° | 20.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (Na+ • 2H2O • CO2) + H2O = (Na+ • 3H2O • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.5 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
By formula: (O2+ • CO2) + CO2 = (O2+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrH° | 7.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrS° | 15. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
By formula: (Na+ • 3H2O) + CO2 = (Na+ • CO2 • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.3 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (Na+ • 3CO2) + CO2 = (Na+ • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.7 | 310. | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: Na+ + CO2 = (Na+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
ΔrH° | 13.7 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.1 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
ΔrS° | 19.8 | cal/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 310. | DT | Keller and Beyer, 1971 | gas phase; low E/N; M |
By formula: (I- • 6CO2) + CO2 = (I- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.3 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 1.90 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
By formula: (I- • 7CO2) + CO2 = (I- • 8CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 1.90 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
By formula: (Cl- • 3CO2) + CO2 = (Cl- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.40 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.80 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; entropy estimated.; B |
By formula: CO3- + CO2 = C2O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.90 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
ΔrH° | 7.10 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.0 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
ΔrG° | 0.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: HO- + CO2 = (HO- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.9 ± 2.5 | kcal/mol | CIDT | Squires, 1992 | gas phase; Dissociative protonation threshold at nPrSH, 9 kcal> calc. CIDC(HOCO2-..HSH) = 7:1 HOCO2-; B |
ΔrH° | 87.60 | kcal/mol | Endo | Hierl and Paulson, 1984 | gas phase; Implies ΔHacid = 291.4, anion appears too stable - JEB; B |
By formula: (CO2+ • 2CO2) + CO2 = (CO2+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 | kcal/mol | EI | Cameron, Aitken, et al., 1994 | gas phase; M |
ΔrH° | 5.1 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrH° | 2.8 | kcal/mol | PI | Linn and Ng, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
By formula: (Na+ • H2O • CO2) + H2O = (Na+ • 2H2O • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.4 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.6 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; From thermochemical cycle; Dzidic and Kebarle, 1970; M |
By formula: (F- • 3CO2) + CO2 = (F- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.2 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (F- • 4CO2) + CO2 = (F- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.6 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.0 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (F- • 5CO2) + CO2 = (F- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.3 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: C7O15- + 7CO2 = C8O17-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; Estimated entropy; single temperature measurement; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; Estimated entropy; single temperature measurement; B |
By formula: (F- • 2CO2) + CO2 = (F- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (F- • CO2) + CO2 = (F- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.3 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.9 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (O2- • 2CO2) + CO2 = (O2- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 3CO2) + CO2 = (O2- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 4CO2) + CO2 = (O2- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 5CO2) + CO2 = (O2- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 6CO2) + CO2 = (O2- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • CO2) + CO2 = (O2- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.60 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 2CO2) + CO2 = (NO2- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 3CO2) + CO2 = (NO2- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 4CO2) + CO2 = (NO2- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 5CO2) + CO2 = (NO2- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -2.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 13.777 ± 0.001 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 129.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 123.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Electron affinity determinations
EA (eV) | Method | Reference | Comment |
---|---|---|---|
-0.599986 | EIAE | Knapp, Echt, et al., 1986 | Unbound but in -0.3 eV well, from (CO2)n; B |
-1.60 ± 0.10 | NBIE | Compton, Reinhardt, et al., 1975 | B |
Ionization energy determinations
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C+ | 25. ± 2. | O2 | PI | Hitchcock, Brion, et al., 1980 | LLK |
C+ | 22.7 ± 0.2 | O2 | EI | Bussieres and Marmet, 1977 | LLK |
C+ | 27.8 ± 0.1 | 2O | EI | Bussieres and Marmet, 1977 | LLK |
C+ | 24.6 ± 1.0 | O2 | EI | Crowe and McConkey, 1974 | LLK |
C+ | 28.4 ± 0.6 | 2O | EI | Cuthbert, Farren, et al., 1968 | RDSH |
C+ | 14.2 ± 0.5 | 2O | EI | Cuthbert, Farren, et al., 1968 | RDSH |
C+ | 23.2 ± 0.5 | O2 | EI | Cuthbert, Farren, et al., 1968 | RDSH |
CO+ | 19. ± 2. | O | PI | Hitchcock, Brion, et al., 1980 | LLK |
CO+ | 19.466 | O | PE | Eland and Berkowitz, 1977, 2 | LLK |
CO+ | 19.42 ± 0.075 | O | EI | Bussieres and Marmet, 1977 | LLK |
CO+ | 19.466 | O | PE | Kronebusch and Berkowitz, 1976 | LLK |
CO+ | 20.9 ± 1.0 | O | EI | Crowe and McConkey, 1974 | LLK |
CO+ | 29.0 | O | PI | Samson and Gardner, 1973 | LLK |
O+ | 19. ± 1. | CO | PI | Hitchcock, Brion, et al., 1980 | LLK |
O+ | 19.071 | CO | PE | Eland and Berkowitz, 1977, 2 | LLK |
O+ | 19.05 ± 0.05 | CO | EI | Bussieres and Marmet, 1977 | LLK |
O+ | 19.067 | CO | PE | Kronebusch and Berkowitz, 1976 | LLK |
O+ | 19.393 ± 0.008 | ? | PI | Parr and Taylor, 1974 | LLK |
O+ | 22.6 ± 1.0 | CO | EI | Crowe and McConkey, 1974 | LLK |
O+ | 19.10 ± 0.01 | CO | PI | Dibeler and Walker, 1967 | RDSH |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Br- + CO2 = (Br- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.3 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
ΔrH° | 6.7 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (Br- • CO2) + CO2 = (Br- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 6.0 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.3 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (Br- • 2CO2) + CO2 = (Br- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 3CO2) + CO2 = (Br- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.2 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 4CO2) + CO2 = (Br- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 5CO2) + CO2 = (Br- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.0 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 6CO2) + CO2 = (Br- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.6 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 7CO2) + CO2 = (Br- • 8CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.7 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 8CO2) + CO2 = (Br- • 9CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 9CO2) + CO2 = (Br- • 10CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.8 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (Br- • 10CO2) + CO2 = (Br- • 11CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.5 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: CHO+ + CO2 = (CHO+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
By formula: (CHO+ • CO2) + CO2 = (CHO+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
By formula: (CHO+ • 2CO2) + CO2 = (CHO+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.7 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
By formula: (CHO+ • 3CO2) + CO2 = (CHO+ • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: CHO2+ + CO2 = (CHO2+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrH° | 18.0 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrH° | 19.1 | kcal/mol | PHPMS | Jennings, Headley, et al., 1982 | gas phase; M |
ΔrH° | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrS° | 27.1 | cal/mol*K | PHPMS | Jennings, Headley, et al., 1982 | gas phase; M |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (CHO2+ • CO2) + CO2 = (CHO2+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
By formula: (CHO2+ • 2CO2) + CO2 = (CHO2+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.9 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
By formula: (CHO2- • 4294967295CO2) + CO2 = CHO2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 51.6 ± 2.3 | kcal/mol | N/A | Caldwell, Renneboog, et al., 1989 | gas phase; B |
By formula: CH3+ + CO2 = (CH3+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 49.4 | kcal/mol | PHPMS | McMahon, Heinis, et al., 1988 | gas phase; switching reaction(CH3+)N2, Entropy change calculated or estimated, uses MCA(N2) = 48.3 kcal/mol; Foster, Williamson, et al., 1974; M |
By formula: CH6N+ + CO2 = (CH6N+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
By formula: CN- + CO2 = (CN- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.30 ± 0.80 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.5 | cal/mol*K | PHPMS | Larson, Szulejko, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.90 ± 0.20 | kcal/mol | TDAs | Larson, Szulejko, et al., 1988 | gas phase; B |
By formula: CO2+ + CO2 = (CO2+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. ± 1. | kcal/mol | AVG | N/A | Average of 7 out of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrS° | 18.6 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=15.9 kcal/mol; M |
ΔrS° | 19.5 | cal/mol*K | DT | Van Koppen, Kemper, et al., 1983 | gas phase; M |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Headley, Mason, et al., 1982 | gas phase; M |
ΔrS° | 21.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (CO2+ • CO2) + CO2 = (CO2+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.6 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrH° | 8.3 | kcal/mol | EI | Cameron, Aitken, et al., 1994 | gas phase; M |
ΔrH° | 3.3 | kcal/mol | PI | Linn and Ng, 1981 | gas phase; M |
ΔrH° | 6.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.1 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrS° | 24.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (CO2+ • 2CO2) + CO2 = (CO2+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 | kcal/mol | EI | Cameron, Aitken, et al., 1994 | gas phase; M |
ΔrH° | 5.1 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrH° | 2.8 | kcal/mol | PI | Linn and Ng, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.1 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
By formula: (CO2+ • 3CO2) + CO2 = (CO2+ • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.8 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
By formula: (CO2+ • 4CO2) + CO2 = (CO2+ • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.3 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
By formula: (CO2+ • 5CO2) + CO2 = (CO2+ • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.0 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Hiraoka, Nakajima, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: CO3- + CO2 = C2O5-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.90 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
ΔrH° | 7.10 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.0 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
ΔrG° | 0.60 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: CO3- + CO2 = (CO3- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.9 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
By formula: (CO3- • CO2) + CO2 = (CO3- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.7 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.9 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
By formula: (CO3- • 2CO2) + CO2 = (CO3- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.5 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
By formula: (CO3- • 3CO2) + CO2 = (CO3- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.2 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
By formula: (CO3- • 4CO2) + CO2 = (CO3- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.8 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
By formula: (CO3- • 5CO2) + CO2 = (CO3- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.7 ± 0.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.9 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
By formula: (CO3- • 6CO2) + CO2 = (CO3- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.45 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Hiraoka and Yamabe, 1992 | gas phase; Entropy change calculated or estimated; M |
By formula: (C2H2O2- • 4294967295CO2) + CO2 = C2H2O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 61.7 ± 2.7 | kcal/mol | CIDT | Wenthold and Squires, 1994 | gas phase; B |
By formula: (C2H3O2- • 4294967295CO2) + CO2 = C2H3O2-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 59.7 ± 2.5 | kcal/mol | CIDC | Wenthold and Squires, 1994 | gas phase; B |
By formula: C2H8N+ + CO2 = (C2H8N+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1978 | gas phase; M |
By formula: C2O5- + 2CO2 = C3O7-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: C3O7- + 3CO2 = C4O9-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: C4O9- + 4CO2 = C5O11-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: C5O11- + 5CO2 = C6O13-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: C6O13- + 6CO2 = C7O15-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: C7O15- + 7CO2 = C8O17-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; Estimated entropy; single temperature measurement; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; Estimated entropy; single temperature measurement; B |
(Ca+2 • 4 •
) +
= (Ca+2 • 5
•
)
By formula: (Ca+2 • 4CO2 • CCaO3) + CO2 = (Ca+2 • 5CO2 • CCaO3)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.6 | 296. | FA | Spears and Fehsenfeld, 1972 | gas phase; M |
By formula: (Ca+2 • 5CO2) + CO2 = (Ca+2 • 6CO2)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.1 | 296. | FA | Spears and Fehsenfeld, 1972 | gas phase; M |
By formula: Cl- + CO2 = (Cl- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.80 ± 0.50 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995, 2 | gas phase; Affinity: shift in apparent EA from lesser-solvated ion. Ignores any neutral-neutral bond.; B |
ΔrH° | 7.60 | kcal/mol | TDEq | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
ΔrH° | 8.00 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrS° | 19.6 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.10 | kcal/mol | TDEq | Hiraoka, Shoda, et al., 1986 | gas phase; B |
ΔrG° | 2.10 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (Cl- • CO2) + CO2 = (Cl- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrH° | 7.20 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.8 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrG° | 1.00 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B |
By formula: (Cl- • 2CO2) + CO2 = (Cl- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrH° | 6.80 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.4 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.1 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrG° | 0.10 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; B |
By formula: (Cl- • 3CO2) + CO2 = (Cl- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.40 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; entropy estimated.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.80 | kcal/mol | TDAs | Hiraoka, Shoda, et al., 1986 | gas phase; entropy estimated.; B |
By formula: Cs+ + CO2 = (Cs+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.2 | kcal/mol | DT | McKnight and Sawina, 1972 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 14.3 | cal/mol*K | DT | McKnight and Sawina, 1972 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.4 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (Cs+ • H2O) + CO2 = (Cs+ • CO2 • H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
1.2 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: F- + CO2 = (F- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.07 | kcal/mol | N/A | Arnold, Bradforth, et al., 1995, 2 | gas phase; B |
ΔrH° | 32.3 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
ΔrH° | 31.7 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
ΔrH° | 33.0 ± 3.0 | kcal/mol | IMRE | McMahon and Northcott, 1978 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
ΔrS° | 24. | cal/mol*K | N/A | Larson and McMahon, 1985 | gas phase; switching reaction,Thermochemical ladder(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 24.3 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrG° | 24.5 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1985 | gas phase; B,M |
ΔrG° | 11.6 | kcal/mol | FA | Spears and Ferguson, 1973 | gas phase; DG>; M |
By formula: (F- • CO2) + CO2 = (F- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.3 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.9 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (F- • 2CO2) + CO2 = (F- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.5 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (F- • 3CO2) + CO2 = (F- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.8 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.2 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (F- • 4CO2) + CO2 = (F- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.6 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.0 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (F- • 5CO2) + CO2 = (F- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.3 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (F- • 6CO2) + CO2 = (F- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.9 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1987 | gas phase; Entropy change calculated or estimated; M |
By formula: Fe+ + CO2 = (Fe+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
By formula: HO- + CO2 = (HO- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 50.9 ± 2.5 | kcal/mol | CIDT | Squires, 1992 | gas phase; Dissociative protonation threshold at nPrSH, 9 kcal> calc. CIDC(HOCO2-..HSH) = 7:1 HOCO2-; B |
ΔrH° | 87.60 | kcal/mol | Endo | Hierl and Paulson, 1984 | gas phase; Implies ΔHacid = 291.4, anion appears too stable - JEB; B |
By formula: HO- + CO2 = (HO- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 88. | kcal/mol | CID | Hierl and Paulson, 1984 | gas phase; M |
By formula: H3O+ + CO2 = (H3O+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.3 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrH° | 15.3 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrH° | 14.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase; M |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
ΔrS° | 20.7 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; M |
By formula: (H3O+ • CO2) + CO2 = (H3O+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.4 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.5 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
By formula: (H3O+ • 2CO2) + CO2 = (H3O+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.5 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.9 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; M |
By formula: H4N+ + CO2 = (H4N+ • CO2)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.3 | 296. | FA | Spears and Fehsenfeld, 1972 | gas phase; M |
By formula: (H4N+ • 2H2O) + CO2 = (H4N+ • CO2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 1.3 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: I- + CO2 = (I- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.7 ± 1.8 | kcal/mol | N/A | Piani, Becucci, et al., 2008 | gas phase; Stated electron affinity is the Vertical Detachment Energy; B |
ΔrH° | 4.0 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
ΔrH° | 3.20 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 5.60 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 13.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
ΔrS° | 18.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
ΔrG° | 0.80 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B,M |
ΔrG° | 0.40 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (I- • CO2) + CO2 = (I- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.6 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.7 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
ΔrH° | 2.60 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.7 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (I- • 2CO2) + CO2 = (I- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.20 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 3.7 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.6 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.6 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (I- • 3CO2) + CO2 = (I- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.80 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 3.6 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.5 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.0 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (I- • 4CO2) + CO2 = (I- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.70 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 3.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 4.3 ± 1.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.4 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1987 | gas phase; B |
By formula: (I- • 5CO2) + CO2 = (I- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.0 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 1.80 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
ΔrH° | 4.2 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1987 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1987 | gas phase; Entropy change calculated or estimated; M |
By formula: (I- • 6CO2) + CO2 = (I- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.3 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 1.90 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
By formula: (I- • 7CO2) + CO2 = (I- • 8CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 3.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
ΔrH° | 1.90 | kcal/mol | N/A | Gomez, Taylor, et al., 2002 | gas phase; EA=Vertical Detachment Energy. Affinity is stepwise difference in EAs.; B |
By formula: (I- • 8CO2) + CO2 = (I- • 9CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 2.8 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (I- • 9CO2) + CO2 = (I- • 10CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 0.9 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (I- • 10CO2) + CO2 = (I- • 11CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.0 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (I- • 11CO2) + CO2 = (I- • 12CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.6 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: (I- • 12CO2) + CO2 = (I- • 13CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1.1 ± 2.0 | kcal/mol | PDis | Arnold, Bradforth, et al., 1995 | gas phase; EA given is Vertical Detachment Energy. Affinity: difference between successive EAs in (Y); B |
By formula: K+ + CO2 = (K+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 | kcal/mol | HPMS | Castleman and Keesee, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 15.2 | cal/mol*K | HPMS | Castleman and Keesee, 1981 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 310. | DT | Keller and Beyer, 1971, 2 | gas phase; low E/N; M |
By formula: Kr+ + CO2 = (Kr+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.9 ± 0.7 | kcal/mol | SIFT | Praxmarer, Jordan, et al., 1993 | gas phase; switching reaction(Kr+)Kr; Wadt, 1978, Radzig and Smirnov, 1985; M |
By formula: Mg+ + CO2 = (Mg+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 1.4 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: (Mg+ • CO2) + CO2 = (Mg+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.5 ± 0.7 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: (Mg+ • 2CO2) + CO2 = (Mg+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 ± 1.4 | kcal/mol | CIDT | Andersen, Muntean, et al., 2000 | RCD |
By formula: NO- + CO2 = (NO- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.5 ± 0.3 | kcal/mol | DT | Illies, 1988 | gas phase; ΔrH(0 K)=8.60 kcal/mol; M |
ΔrH° | 7.7 ± 0.4 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
ΔrH° | 13.8 | kcal/mol | FA | Dunkin, Fehsenfeld, et al., 1971 | gas phase; switching reaction(NO+)NO, ΔrH<; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.0 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=8.60 kcal/mol; M |
ΔrS° | 13.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (NO- • CO2) + CO2 = (NO- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.4 ± 0.4 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.1 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (NO- • 2CO2) + CO2 = (NO- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 ± 0.4 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (NO- • 3CO2) + CO2 = (NO- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.7 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.4 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (NO- • 4CO2) + CO2 = (NO- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.2 ± 0.3 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.9 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
By formula: (NO- • 5CO2) + CO2 = (NO- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.0 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28. | cal/mol*K | N/A | Hiraoka and Yamabe, 1991 | gas phase; Entropy change calculated or estimated; M |
By formula: NO2- + CO2 = (NO2- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.30 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
ΔrH° | 9.30 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
ΔrS° | 24.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.1 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
ΔrG° | 2.00 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
By formula: (NO2- • CO2) + CO2 = (NO2- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 2CO2) + CO2 = (NO2- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 3CO2) + CO2 = (NO2- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.9 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.7 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 4CO2) + CO2 = (NO2- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 5CO2) + CO2 = (NO2- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.9 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -2.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 6CO2) + CO2 = (NO2- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -2.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (NO2- • 7CO2) + CO2 = (NO2- • 8CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -2.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: NO3- + CO2 = (NO3- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 2.70 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B,M |
By formula: Na+ + CO2 = (Na+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
ΔrH° | 13.7 | kcal/mol | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.1 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
ΔrS° | 19.8 | cal/mol*K | FA | Perry, Rowe, et al., 1980 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 310. | DT | Keller and Beyer, 1971 | gas phase; low E/N; M |
By formula: (Na+ • CO2) + CO2 = (Na+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.0 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.8 | 310. | DT | Keller and Beyer, 1971 | gas phase; low E/N; M |
By formula: (Na+ • 2CO2) + CO2 = (Na+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
By formula: (Na+ • 3CO2) + CO2 = (Na+ • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.7 | 310. | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: (Na+ • H2O) + CO2 = (Na+ • CO2 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.6 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.5 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
By formula: (Na+ • 2H2O) + CO2 = (Na+ • CO2 • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | HPMS | Peterson, Mark, et al., 1984 | gas phase; M |
By formula: (Na+ • 3H2O) + CO2 = (Na+ • CO2 • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.2 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.3 | kcal/mol | HPMS | Peterson, Mark, et al., 1984 | gas phase; Entropy change calculated or estimated; M |
By formula: O- + CO2 = (O- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 48. ± 10. | kcal/mol | AVG | N/A | Average of 8 out of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 48.0 ± 5.0 | kcal/mol | IMRE | Adams and Bohme, 1970 | gas phase; O3- + CO2 <=> CO3- + O2; B |
By formula: (O- • CO2) + CO2 = (O- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.1 | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
By formula: (O- • H2O) + CO2 = (O- • CO2 • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 36.4 | kcal/mol | PDiss | Roehl, Snodgrass, et al., 1991 | gas phase; ΔrH>; M |
By formula: O2+ + CO2 = (O2+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.8 ± 0.9 | kcal/mol | AVG | N/A | Average of 4 out of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.5 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrS° | 18.9 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=9.80 kcal/mol; M |
ΔrS° | 20.7 | cal/mol*K | N/A | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970; M |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 | kcal/mol | DT | Rakshit and Warneck, 1981 | gas phase; M |
ΔrG° | 4.3 | kcal/mol | FA | Dotan, Davidson, et al., 1978 | gas phase; switching reaction(O2+)O2, Entropy change calculated or estimated; Conway and Janik, 1970; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.4 | 600. | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change calculated or estimated, DG>, ΔrH>; M |
By formula: (O2+ • CO2) + CO2 = (O2+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.6 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrH° | 7.5 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
ΔrS° | 15. | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase; Entropy change is questionable; M |
By formula: (O2+ • 2CO2) + CO2 = (O2+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.2 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
By formula: (O2+ • 3CO2) + CO2 = (O2+ • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.1 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.6 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
By formula: (O2+ • 4CO2) + CO2 = (O2+ • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.5 ± 0.5 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; M |
By formula: (O2+ • 5CO2) + CO2 = (O2+ • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.0 | kcal/mol | PHPMS | Hiraoka, Nakajima, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Hiraoka, Nakajima, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
By formula: O2- + CO2 = (O2- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.00 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
ΔrH° | 17.7 ± 1.8 | kcal/mol | IMRE | Pack and Phelps, 1966 | gas phase; Corrected with more recent EA(O2) = 0.45 eV; B,M |
ΔrH° | 25.4 ± 4.6 | kcal/mol | PDis | Vestal and Mauclaire, 1977 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
ΔrS° | 21. | cal/mol*K | DT | Pack and Phelps, 1966 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 11.7 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
ΔrG° | 12.2 ± 1.2 | kcal/mol | IMRE | Pack and Phelps, 1966 | gas phase; Corrected with more recent EA(O2) = 0.45 eV; B |
ΔrG° | 10.0 | kcal/mol | FA | Adams and Bohme, 1970 | gas phase; switching reaction(O2-)O2; Conway and Nesbit, 1968; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.9 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(O2-)H2O; Arshadi and Kebarle, 1970; M |
By formula: (O2- • CO2) + CO2 = (O2- • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.60 ± 0.20 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.2 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 2CO2) + CO2 = (O2- • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.3 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.6 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 3CO2) + CO2 = (O2- • 4CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.7 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -0.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 4CO2) + CO2 = (O2- • 5CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 5CO2) + CO2 = (O2- • 6CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.2 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.0 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • 6CO2) + CO2 = (O2- • 7CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1992 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | -1.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1992 | gas phase; B |
By formula: (O2- • H2O) + CO2 = (O2- • CO2 • H2O)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.2 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; switching reaction(O2-)2H2O; Arshadi and Kebarle, 1970; M |
By formula: O2S+ + CO2 = (O2S+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.6 ± 0.2 | kcal/mol | DT | Illies, 1988 | gas phase; ΔrH(0 K)=10.2 kcal/mol; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.5 | cal/mol*K | DT | Illies, 1988 | gas phase; ΔrH(0 K)=10.2 kcal/mol; M |
By formula: O3S- + CO2 = (O3S- • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.50 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 0.30 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
NIST MS number | 69 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy Pc Critical pressure Ptriple Triple point pressure S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature Tc Critical temperature Ttriple Triple point temperature Vc Critical volume ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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