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
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- Information on this page:
- Other data available:
- Phase change data
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 143
- Henry's Law data
- Ion clustering data
- Gas Chromatography
- Fluid Properties
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Gas phase thermochemistry data
Go To: Top, 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.
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 |
Reaction thermochemistry data
Go To: Top, Gas phase 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:
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, Reaction thermochemistry 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 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics 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, Reaction thermochemistry data, Gas phase ion energetics 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, Reaction thermochemistry data, Gas phase ion energetics 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.
Cox, Wagman, et al., 1984
Cox, J.D.; Wagman, D.D.; Medvedev, V.A.,
CODATA Key Values for Thermodynamics, Hemisphere Publishing Corp., New York, 1984, 1. [all data]
Chase, 1998
Chase, M.W., Jr.,
NIST-JANAF Themochemical Tables, Fourth Edition,
J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]
Hiraoka, Nakajima, et al., 1988
Hiraoka, K.; Nakajima, G.; Shoda, S.,
Determination of the Stabilities of CO2+(CO2)n and O2+(CO2)n Clusters with n = 1 - 6,
Chem. Phys. Lett., 1988, 146, 6, 535, https://doi.org/10.1016/0009-2614(88)87495-5
. [all data]
Illies, 1988
Illies, A.J.,
Thermochemistry of the Gas - Phase Ion - Molecule Clustering of CO2+CO2, SO2+CO2, N2O+N2O, O2+CO2, NO+CO2 and NO+N2O: Description of a New Hybrid Drift Tube/Ion Source with Coaxial Electron Beam and Ion Exit Apertures,
J. Phys. Chem., 1988, 92, 10, 2889, https://doi.org/10.1021/j100321a037
. [all data]
Dotan, Davidson, et al., 1978
Dotan, I.; Davidson, J.A.; Fehsenfeld, F.C.; Albritton, D.L.,
Reactions of O2+.O2 with CO2, O3 and CH4 and O2+.O3 with H2O and CH4 and their Role in Stratospheric Ion Chemistry,
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. [all data]
Conway and Janik, 1970
Conway, D.C.; Janik, G.S.,
Determination of the Bond Energies for the Series O2 - O2+ through O2 - O10+,
J. Chem. Phys., 1970, 53, 5, 1859, https://doi.org/10.1063/1.1674262
. [all data]
Meot-Ner (Mautner) and Field, 1977
Meot-Ner (Mautner), M.; Field, F.H.,
Proton Affinity and Ion - Molecule Clustering in CO2 and CS2. Applications in Martian Ionospheric Chemistry,
J. Chem. Phys., 1977, 66, 10, 4527, https://doi.org/10.1063/1.433706
. [all data]
Rakshit and Warneck, 1981
Rakshit, A.B.; Warneck, P.,
Formation and Reactions of O2+.CO2, O2+.H2O and O2+(CO2)2 Ions,
Int. J. Mass Spectrom Ion Phys., 1981, 40, 2, 135, https://doi.org/10.1016/0020-7381(81)80037-X
. [all data]
Van Koppen, Kemper, et al., 1983
Van Koppen, P.A.M.; Kemper, P.R.; Illies, A.J.; Bowers, M.T.,
An Improved High - Pressure, Temperature - Variable Ion Source with Coaxial Electron Beam/Ion Exit Slit,
Int. J. Mass Spectrom. Ion Proc., 1983, 54, 3, 263, https://doi.org/10.1016/0168-1176(83)80015-9
. [all data]
Headley, Mason, et al., 1982
Headley, J.V.; Mason, R.S.; Jennings, K.R.,
Kinetics, Equilibria and Diffusion of Ions Produced in N2, CO and CO2, Studied as a Function of Temperature using a High - Pressure Pulsed Mass Spectrometer,
J. Chem. Soc., 1982, 78, 933. [all data]
Adams and Bohme, 1970
Adams, N.G.; Bohme, D.,
Flowing Afterglow Studies of Formation and Reactions of Cluster Ions of O2+, O2-, and O-,
J. Chem. Phys., 1970, 52, 6, 3133, https://doi.org/10.1063/1.1673449
. [all data]
Piani, Becucci, et al., 2008
Piani, G.; Becucci, M.; Bowen, M.S.; Oakman, J.; Hu, Q.; Continetti, R.E.,
Photodetachment and dissociation dynamics of microsolvated iodide clusters,
Phys. Scripta, 2008, 78, 5, 058110, https://doi.org/10.1088/0031-8949/78/05/058110
. [all data]
Arnold, Bradforth, et al., 1995
Arnold, D.W.; Bradforth, S.E.; Kim, E.H.; Neumark, D.M.,
Study of I-(CO2)n, Br-(CO2)n, and I-(N2O)n clusters by anion photoelectron spectroscopy,
J. Chem. Phys., 1995, 102, 9, 3510, https://doi.org/10.1063/1.468576
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Hiraoka, Mizuse, et al., 1987
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
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Vestal, M.L.; Mauclaire, G.H.,
Photodissociaton of negative ions formed in CO2 and CO2/O2 Mixtures,
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Conway, D.C.; Nesbit, L.E.,
Stability of O4-,
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Arshadi and Kebarle, 1970
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Hydration of OH- and O2- in the Gas Phase. Comparative Solvation of OH- by Water and the Hydrogen Halides. Effect of Acidity,
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Larson and McMahon, 1985
Larson, J.W.; McMahon, T.B.,
Fluoride and chloride affinities of the main group oxides, fluorides, oxofluorides, and alkyls. Quantitative scales of lewis acidities from ICR halide exchange equilibria,
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McMahon and Northcott, 1978
McMahon, T.B.; Northcott, C.J.,
The Fluoroformate Ion FCO2-: An ICR study of the gas phase lewis acidity of carbon dioxide and related isoelectronic species,
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Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
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Spears and Ferguson, 1973
Spears, K.G.; Ferguson, E.E.,
Termolecular and Saturated Termolecular Kinetics for Li+ and F-,
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Hiraoka, Shoda, et al., 1986
Hiraoka, K.; Shoda, T.; Morise, K.; Yamabe, S.; Kawai, E.; Hirao, K.,
Stability and structure of cluster ions in the gas phase: Carbon dioxide with Cl-, H3O+, HCO2+ and HCO+,
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Peterson, Mark, et al., 1984
Peterson, K.I.; Mark, T.D.; Keesee, R.G.; Castleman, A.W.,
Thermochemical Properties of Gas - Phase Mixed Clusters: H2O/CO2 with Na+,
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Dzidic and Kebarle, 1970
Dzidic, I.; Kebarle, P.,
Hydration of the Alkali Ions in the Gas Phase. Enthalpies and Entropies of Reactions M+(H2O)n-1 + H2O = M+(H2O)n,
J. Phys. Chem., 1970, 74, 7, 1466, https://doi.org/10.1021/j100702a013
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Perry, Rowe, et al., 1980
Perry, R.A.; Rowe, B.R.; Viggiano, A.A.; Albritton, D.L.; Ferguson, E.E.; Fehsenfeld, F.C.,
Laboratory Measurements of Stratospheric Sodium Ion Measurements,
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Szulejko and McMahon, 1992
Szulejko, J.; McMahon, T.B.,
personal communication, 1992. [all data]
Jennings, Headley, et al., 1982
Jennings, K.R.; Headley, J.V.; Mason, R.S.,
The Temperature Dependence of Ion - Molecule Association Reactions,
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Hiraoka and Yamabe, 1991
Hiraoka, K.; Yamabe, S.,
Cluster Ions: Gas Phase Stabilities of NO+(O2)n and NO+(CO2)n with n = 1 - 5,
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Dunkin, Fehsenfeld, et al., 1971
Dunkin, D.B.; Fehsenfeld, F.C.; Schelmetekopf, A.L.; Ferguson, E.E.,
Three-Body Association Reactions of NO+ with O2, N2, and CO2,
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Cameron, Aitken, et al., 1994
Cameron, B.R.; Aitken, C.G.; Harland, P.W.,
Appearence Energies of Small Cluster Ions and their Fragments,
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Linn and Ng, 1981
Linn, S.H.; Ng, C.Y.,
Photoionization Study of CO2, N2O Dimers and Clusters,
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Keller and Beyer, 1971
Keller, G.E.; Beyer, R.A.,
CO2 and O2 Clustering to Sodium Ions,
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Squires, 1992
Squires, R.R.,
Gas Phase Thermochemical Properties of the Bicarbonate and Bisulfate Ions,
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Hierl and Paulson, 1984
Hierl, P.M.; Paulson, J.F.,
Translational energy dependence of cross sections for reactions of OH- (H2O)n with CO2 and SO2,
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Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Knapp, Echt, et al., 1986
Knapp, A.; Echt, O.; Kreisle, D.; Mark, T.D.; Recknagel, E.,
Formation of Long-Lived CO2-, N2O- and their Dimer Anions, by Electron Attachment to van der Walls Clusters,
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Compton, Reinhardt, et al., 1975
Compton, R.N.; Reinhardt, P.W.; Cooper, C.D.,
Collisional ionization of Na, K, and Cs by CO2, COS, and CS2: Molecular electron affinities,
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Wang, Reutt, et al., 1988
Wang, L.; Reutt, J.E.; Lee, Y.T.; Shirley, D.A.,
High resolution UV photoelectron spectroscopy of CO2, COS, and CS2 using supersonic molecular beams,
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Kimura, Katsumata, et al., 1981
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Potts and Fattahallah, 1980
Potts, A.W.; Fattahallah, G.H.,
High-resolution ultraviolet photoelectron spectroscopy of CO2, COS and CS2,
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Hitchcock, Brion, et al., 1980
Hitchcock, A.P.; Brion, C.E.; Van der Wiel, M.J.,
Absolute oscillator strengths for valence-shell ionic photofragmentation of N2O and CO2(8-75 eV),
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Sahini, Constantin, et al., 1978
Sahini, V.E.; Constantin, V.; Serban, I.,
Determination of ionization potentials using a MI-1305 mass spectrometer,
Rev. Roum. Chim., 1978, 23, 479. [all data]
Mark and Hille, 1978
Mark, T.D.; Hille, E.,
Cross section for single and double ionization of carbon dioxide by electron impact threshold up to 180 eV,
J. Chem. Phys., 1978, 69, 2492. [all data]
Jones and Taylor, 1978
Jones, G.G.; Taylor, J.W.,
A photoionization study of carbon dioxide dimers in a supersonic molecular beam,
J. Chem. Phys., 1978, 68, 1768. [all data]
Frey, Gotchev, et al., 1977
Frey, R.; Gotchev, B.; Kalman, O.F.; Peatman, W.B.; Pollak, H.; Schlag, E.W.,
Photoionization resonance spectra of CO2+ and threshold electron-ion coincidence measurements of the fragmentation of CO2+,
Chem. Phys., 1977, 21, 89. [all data]
Bussieres and Marmet, 1977
Bussieres, N.; Marmet, P.,
Ionization and dissociative ionization of CO2 by electron impact,
Can. J. Phys., 1977, 55, 1889. [all data]
Kronebusch and Berkowitz, 1976
Kronebusch, P.L.; Berkowitz, J.,
Photodissociative ionization in the 21-41 eV region: O2, N2, CO, NO, CO2, H2O, NH3 and CH4,
Int. J. Mass Spectrom. Ion Phys., 1976, 22, 283. [all data]
Batten, Taylor, et al., 1976
Batten, C.F.; Taylor, J.A.; Meisels, G.G.,
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Parr and Taylor, 1974
Parr, G.R.; Taylor, J.W.,
Photoionization mass spectrometry. IV. Carbon dioxide,
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Semenov, Volkov, et al., 1973
Semenov, G.A.; Volkov, A.D.; Franktseva, K.E.,
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Tr. Leningrad. Tekhnol. Inst. Tsellyul. Bum. Prom., 1973, 30, 153. [all data]
Parr and Taylor, 1973
Parr, G.R.; Taylor, J.W.,
A photoionization mass spectrometer utilizing a high intensity molecular beam sampling system and synchrotron radiation,
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Natalis, 1973
Natalis, P.,
Contribution a la spectroscopie photoelectronique. Effets de l'autoionisation dans less spectres photoelectroniques de molecules diatomiques et triatomiques,
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McCulloh, 1973
McCulloh, K.E.,
Photoionization of carbon dioxide,
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Frost, Lee, et al., 1973
Frost, D.C.; Lee, S.T.; McDowell, C.A.,
Photoelectron spectra of OCSe, SCSe, and CSe2,
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Brundle and Turner, 1969
Brundle, C.R.; Turner, D.W.,
Studies on the photoionisation of the linear triatomic molecules: N2O, COS, CS2 and CO2 using high-resolution photoelectron spectroscopy,
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Eland and Danby, 1968
Eland, J.H.D.; Danby, C.J.,
Photoelectron spectra and ionic structure of carbon dioxide, carbon disulphide and sulphur dioxide,
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Spohr and Puttkamer, 1967
Spohr, R.; Puttkamer, E.v.,
Energiemessung von Photoelektronen und Franck-Condon-Faktoren der Schwingungsubergange einiger Molekulionen,
Z. Naturforsch., 1967, 22a, 705. [all data]
Carette, 1967
Carette, J.-D.,
Ionisation par impact electronique de CO2 et N2O,
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Nakata, Watanabe, et al., 1965
Nakata, R.S.; Watanabe, K.; Matsunaga, F.M.,
Absorption and photoionization coefficients of CO2 in the region 580-1670 A,
Sci. Light (Tokyo), 1965, 14, 54. [all data]
Tanaka, Jursa, et al., 1960
Tanaka, Y.; Jursa, A.S.; LeBlanc, F.J.,
Higher ionization potentials of linear triatomic molecules. I. CO2,
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Eland and Berkowitz, 1977
Eland, J.H.D.; Berkowitz, J.,
Photoionization mass spectrometry of HI and DI at high resolution,
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Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G.,
Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules,
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Schweig and Thiel, 1974
Schweig, A.; Thiel, W.,
Photoionization cross sections: He I- and He II-photoelectron spectra of homologous oxygen and sulphur compounds,
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Potts and Williams, 1974
Potts, A.W.; Williams, T.A.,
The observation of "forbidden" transitions in He II photoelectron spectra,
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Crowe and McConkey, 1974
Crowe, A.; McConkey, J.W.,
Dissociative ionization by electron impact. III. O+, CO+ and C+ from CO2,
J. Phys. B:, 1974, 7, 349. [all data]
Cuthbert, Farren, et al., 1968
Cuthbert, J.; Farren, J.; PrahalladaRao, B.S.; Preece, E.R.,
Sequential mass spectrometry. III. Ions and fragments from carbon dioxide anddisulphide,
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Eland and Berkowitz, 1977, 2
Eland, J.H.D.; Berkowitz, J.,
Formation and predissociation of CO2+(C2Σ+g),
J. Chem. Phys., 1977, 67, 2782. [all data]
Samson and Gardner, 1973
Samson, J.A.R.; Gardner, J.L.,
Fluorescence excitation and photoelectron spectra of CO2 induced by vacuum ultraviolet radiation between 185 and 716 angstroms,
J. Geophys. Res., 1973, 78, 3663. [all data]
Dibeler and Walker, 1967
Dibeler, V.H.; Walker, J.A.,
Mass spectrometric study of the photoionization of small polyatomic molecules,
Advan. Mass Spectrom., 1967, 4, 767. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy EA Electron affinity IE (evaluated) Recommended ionization energy S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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