Iodide
- Formula: I-
- Molecular weight: 126.90502
- IUPAC Standard InChI: InChI=1S/HI/h1H/p-1
- IUPAC Standard InChIKey: XMBWDFGMSWQBCA-UHFFFAOYSA-M
- CAS Registry Number: 20461-54-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Iodized Oil; Iodine anion
- 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 150
- Ion clustering data
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, 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 |
|---|---|---|---|---|---|
| S°gas,1 bar | 40.454 | cal/mol*K | Review | Chase, 1998 | Data last reviewed in June, 1982 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, 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
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: I- + H2O = (I- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.4 ± 0.7 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| ΔrS° | 19.3 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
| ΔrS° | 16.3 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.5 ± 0.3 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 5.3 | 300. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
( •
) +
= (
• 2
)
By formula: (I- • H2O) + H2O = (I- • 2H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.90 ± 0.20 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
| ΔrH° | 9.50 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
| ΔrH° | 9.50 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
| ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| ΔrS° | 20.3 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
| ΔrS° | 19.0 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.0 ± 0.5 | kcal/mol | AVG | N/A | Average of 6 values; Individual data points |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 4.1 | 300. | 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 |
( • 2
) +
= (
• 3
)
By formula: (I- • 2H2O) + H2O = (I- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.30 ± 0.30 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B,M |
| ΔrH° | 8.5 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
| ΔrH° | 9.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 9.4 ± 1.0 | kcal/mol | TDAs | Payzant, Yamdagni, et al., 1971 | gas phase; B |
| ΔrH° | 9.4 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| ΔrS° | 21.0 | cal/mol*K | HPMS | Keesee and Castleman, 1980 | gas phase; M |
| ΔrS° | 21.3 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.00 | kcal/mol | TDAs | Keesee and Castleman, 1980 | gas phase; B |
| ΔrG° | 3.10 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
| ΔrG° | 3.3 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
+
= (
•
)
By formula: I- + C2H3N = (I- • C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.9 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| ΔrH° | 11.10 ± 0.40 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 11.1 ± 1.1 | kcal/mol | LPES | Dessent, Bailey, et al., 1995 | gas phase; B |
| ΔrH° | 11.00 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 12. | kcal/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 13.8 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| ΔrS° | 18.2 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.4 ± 2.0 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
| ΔrG° | 6.6 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B |
| ΔrG° | 6.90 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
+
= (
•
)
By formula: I- + CH4O = (I- • CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 11.90 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 11.3 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
| ΔrH° | 11.2 | kcal/mol | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
| ΔrH° | 11. | kcal/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.1 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
| ΔrS° | 17.8 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 5.76 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 6.0 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
| ΔrG° | 5.7 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B |
+
= (
•
)
By formula: I- + CH3I = (I- • CH3I)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 8.53 ± 0.20 | kcal/mol | N/A | Van Duzor, Wei, et al., 2010 | gas phase; B |
| ΔrH° | 7.80 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
| ΔrH° | 8.40 ± 0.50 | kcal/mol | N/A | Arnold, Neumark, et al., 1995 | gas phase; ZEKE data, shift relative to bare I-; B |
| ΔrH° | 8.30 ± 0.50 | kcal/mol | PDis | Cyr, Bishea, et al., 1992 | gas phase; B |
| ΔrH° | 9.0 ± 2.0 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 16.4 | cal/mol*K | HPMS | Dougherty and Roberts, 1974 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.73 ± 0.20 | kcal/mol | TDAs | Hiraoka, Fujita, et al., 1905 | gas phase; B |
| ΔrG° | 4.10 ± 0.30 | kcal/mol | TDAs | Dougherty and Roberts, 1974 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (I- • C2H3N) + C2H3N = (I- • 2C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 10.40 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 11.10 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 11.10 ± 0.40 | kcal/mol | N/A | Dessent, Bailey, et al., 1995 | gas phase; Vertical Detachment Energy: 2.25±0.08 eV.; B |
| ΔrH° | 10.50 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| ΔrS° | 20.8 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.90 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
| ΔrG° | 4.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
+
= (
•
)
By formula: I- + O2S = (I- • O2S)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.3 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
| ΔrH° | 12.90 ± 0.10 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 17.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
| ΔrS° | 20.2 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.0 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
| ΔrG° | 1.70 ± 0.10 | kcal/mol | TDAs | Banic and Iribarne, 1985 | gas phase; B |
| ΔrG° | 6.80 ± 0.20 | kcal/mol | TDAs | Keesee, Lee, et al., 1980 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.0 | 301. | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
( • 2
) +
= (
• 3
)
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 |
( • 4
) +
= (
• 5
)
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 |
( •
) +
= (
• 2
)
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 |
( • 3
) +
= (
• 4
)
By formula: (I- • 3H2O) + H2O = (I- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.20 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 6.9 ± 2.3 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 23.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.1 ± 1.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
| ΔrG° | 2.2 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
( • 5
) +
= (
• 6
)
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 |
( • 2
) +
= (
• 3
)
By formula: (I- • 2C2H3N) + C2H3N = (I- • 3C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.20 ± 0.20 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 9.70 ± 0.70 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| ΔrH° | 9.30 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| ΔrS° | 22.1 | cal/mol*K | PHPMS | Yamdagni and Kebarle, 1972 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.20 ± 0.80 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
| ΔrG° | 2.70 | kcal/mol | TDAs | Yamdagni and Kebarle, 1972 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (I- • 4H2O) + H2O = (I- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.00 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B,M |
| ΔrH° | 4.20 | kcal/mol | N/A | Markovich, Pollack, et al., 1994 | gas phase; For photodissociation plus electron loss. Affinity is difference from lower solvated ion.; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 25. | cal/mol*K | N/A | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; Entropy estimated; B |
+
= (
•
)
By formula: I- + C2H6O = (I- • C2H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.00 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 12.1 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.9 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.11 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 6.4 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
| ΔrG° | 6.0 ± 2.0 | kcal/mol | IMRE | Tanabe, Morgon, et al., 1996 | gas phase; Anchored to H2O..I- of Caldwell and Kebarle, 1984; B |
( • 3
) +
= (
• 4
)
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 |
+
= I3-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 32.5 ± 2.4 | kcal/mol | N/A | Taylor, Asmis, et al., 1999 | gas phase; B |
| ΔrH° | 30.1 ± 1.4 | kcal/mol | CIDT | Do, Klein, et al., 1997 | gas phase; B |
| ΔrH° | 85.10 | kcal/mol | Ther | Finch, Gates, et al., 1977 | gas phase; This value is far more bound than expected from other studies; B |
| ΔrH° | 32.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF3-(t); ; ΔS(EA)=2.8; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 22.50 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF3-(t); ; ΔS(EA)=2.8; B |
+
= (
•
)
By formula: I- + C6H5ClO = (I- • C6H5ClO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 20.5 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 11.6 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 11.6 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + C6H5ClO = (I- • C6H5ClO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 21.1 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.2 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 12.2 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + C6H5FO = (I- • C6H5FO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.6 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.7 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.5 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + C6H5FO = (I- • C6H5FO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 19.4 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.7 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + C6H5NO3 = (I- • C6H5NO3)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.2 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.3 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.3 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + C7H5NO = (I- • C7H5NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.8 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.9 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.9 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + C7H5NO = (I- • C7H5NO)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 23.0 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 14.1 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 14.1 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + C7H8O = (I- • C7H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.4 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 7.5 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 7.5 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + C6H6O = (I- • C6H6O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.3 ± 1.8 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21. | cal/mol*K | N/A | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.4 ± 1.0 | kcal/mol | IMRE | Paul and Kebarle, 1990 | gas phase; ΔGaff at 423 K; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 8.4 | 423. | PHPMS | Paul and Kebarle, 1990 | gas phase; Entropy change calculated or estimated; M |
+
= (
•
)
By formula: I- + HBr = (I- • HBr)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 16.1 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.6 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 10.2 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 10.2 | 300. | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
+
= (
•
)
By formula: I- + HI = (I- • HI)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 17.0 ± 2.0 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 24.4 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.7 ± 2.6 | kcal/mol | TDEq | Caldwell and Kebarle, 1985 | gas phase; B |
Free energy of reaction
| ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.7 | 300. | PHPMS | Caldwell and Kebarle, 1985 | gas phase; switching reaction(I-)SO2; M |
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 314.350 ± 0.020 | kcal/mol | D-EA | Pelaez, Blondel, et al., 2009 | gas phase; Given: 3.0590463(38) eV; B |
| ΔrH° | 313.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe(CO)2-(q); ; ΔS(EA)=5.0; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 309.280 ± 0.060 | kcal/mol | H-TS | Pelaez, Blondel, et al., 2009 | gas phase; Given: 3.0590463(38) eV; B |
| ΔrG° | 308.50 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe(CO)2-(q); ; ΔS(EA)=5.0; B |
+
= (
•
)
By formula: I- + HCl = (I- • HCl)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 14.8 ± 2.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B,M |
| ΔrH° | 14.2 | kcal/mol | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.0 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1985 | gas phase; M |
| ΔrS° | 22.7 | cal/mol*K | HPMS | Keesee, Lee, et al., 1980 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 8.8 ± 2.6 | kcal/mol | TDAs | Caldwell and Kebarle, 1985 | gas phase; B |
( • 2
) +
= (
• 3
)
By formula: (I- • 2N2O) + N2O = (I- • 3N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.7 ± 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° | 3.2 | kcal/mol | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 15. | cal/mol*K | N/A | Hiraoka, Aruga, et al., 1993 | gas phase; Entropy change calculated or estimated; M |
( • 2
) +
= (
• 3
)
By formula: (I- • 2CH4O) + CH4O = (I- • 3CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.70 ± 0.60 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 9.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.4 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 3.41 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 3.1 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
( •
) +
= (
• 2
)
By formula: (I- • CH4O) + CH4O = (I- • 2CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.50 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 11.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 22.6 | cal/mol*K | PHPMS | Hiraoka and Yamabe, 1991 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 4.25 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 4.4 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; B |
+
= (
•
)
By formula: I- + CH2O2 = (I- • CH2O2)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 18.9 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
| ΔrH° | 12.9 ± 2.1 | kcal/mol | CIDT | Walker and Sunderlin, 1999 | gas phase; Authors suggest real value somewhere between this and Caldwell and Kebarle, 1984; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.7 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 12.7 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
+
= (
•
)
By formula: I- + C3H8O = (I- • C3H8O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.10 ± 0.20 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 12.2 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.1 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.33 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 6.5 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
+
= (
•
)
By formula: I- + C4H10O = (I- • C4H10O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 13.10 ± 0.30 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrH° | 12.1 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.7 | cal/mol*K | PHPMS | Caldwell and Kebarle, 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 6.15 | kcal/mol | TDAs | Bogdanov, Peschke, et al., 1999 | gas phase; B |
| ΔrG° | 6.5 ± 1.0 | kcal/mol | TDAs | Caldwell and Kebarle, 1984 | gas phase; B |
+
= (
•
)
By formula: I- + H3N = (I- • H3N)
Bond type: Hydrogen bond (negative ion to hydride)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.40 ± 0.30 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B,M |
| ΔrH° | 7.4 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 20.9 | cal/mol*K | HPMS | Evans, Keesee, et al., 1987 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.20 ± 0.60 | kcal/mol | TDAs | Evans, Keesee, et al., 1987 | gas phase; B |
( • 6
) +
= (
• 7
)
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 |
( • 7
) +
= (
• 8
)
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 |
( •
) +
= (
• 2
)
By formula: (I- • N2O) + N2O = (I- • 2N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.9 ± 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 |
| ΔrH° | 3.3 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 14.2 | cal/mol*K | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
( • 7
) +
= (
• 8
)
By formula: (I- • 7CH4O) + CH4O = (I- • 8CH4O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 9.1 ± 1.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B,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 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 0.8 ± 2.0 | kcal/mol | TDAs | Hiraoka and Yamabe, 1991 | gas phase; Entropy estimated.; B |
( • 3
) +
= (
• 4
)
By formula: (I- • 3C2H3N) + C2H3N = (I- • 4C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.80 ± 0.10 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 7.40 ± 0.80 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 19.3 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 2.00 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
( • 4
) +
= (
• 5
)
By formula: (I- • 4C2H3N) + C2H3N = (I- • 5C2H3N)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 7.10 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
| ΔrH° | 10.60 ± 0.90 | kcal/mol | N/A | Markovich, Perera, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 18.9 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.4 ± 1.4 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
+
= (
•
)
By formula: I- + N2O = (I- • N2O)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 2.7 ± 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° | 3.8 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 14.1 | cal/mol*K | PHPMS | Hiraoka, Aruga, et al., 1993 | gas phase; M |
+
= (
•
)
By formula: I- + C6H6 = (I- • C6H6)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 6.1 ± 2.0 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B,M |
| ΔrH° | 9.1 ± 1.0 | kcal/mol | TDAs | Caldwell, Masucci, et al., 1989 | gas phase; B,M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 14.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1.8 ± 2.6 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988, 2 | gas phase; B |
+
= (
•
)
By formula: I- + C2H6OS = (I- • C2H6OS)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 15.70 | kcal/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B,M |
| ΔrH° | 16. | kcal/mol | PHPMS | Caldwell, Masucci, et al., 1989 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrS° | 21.7 | cal/mol*K | PHPMS | Magnera, Caldwell, et al., 1984 | gas phase; M |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 9.20 | kcal/mol | TDAs | Magnera, Caldwell, et al., 1984 | gas phase; B |
= BrI2-
By formula: I- = BrI2-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 33.88 ± 0.23 | kcal/mol | PDis | Crider, Harrison, et al., 2011 | gas phase; B |
| ΔrH° | 35.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF2-(q); ; ΔS(EA)=4.5; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 25.80 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; FeF2-(q); ; ΔS(EA)=4.5; B |
+
= IXe-
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1.60 | kcal/mol | N/A | Lenzer, Furlanetto, et al., 1998 | gas phase; B |
| ΔrH° | 2.80 | kcal/mol | TDAs | Wada, Kikkawa, et al., 2007 | gas phase; Entropy estimated; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | -1.97 | kcal/mol | TDAs | Wada, Kikkawa, et al., 2007 | gas phase; Entropy estimated; B |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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: John E. Bartmess
Protonation reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 314.350 ± 0.020 | kcal/mol | D-EA | Pelaez, Blondel, et al., 2009 | gas phase; Given: 3.0590463(38) eV |
| ΔrH° | 313.60 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe(CO)2-(q); ; ΔS(EA)=5.0 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 309.280 ± 0.060 | kcal/mol | H-TS | Pelaez, Blondel, et al., 2009 | gas phase; Given: 3.0590463(38) eV |
| ΔrG° | 308.50 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; Fe(CO)2-(q); ; ΔS(EA)=5.0 |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, 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, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
S°gas,1 bar Entropy of gas at standard conditions (1 bar) T Temperature 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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