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:
- Gas phase thermochemistry data
- Reaction thermochemistry data: reactions 51 to 100, reactions 101 to 150
- Gas phase ion energetics data
- Ion clustering data
- Options:
Reaction thermochemistry data
Go To: Top, 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 |
References
Go To: Top, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Hiraoka, Mizuse, et al., 1988
Hiraoka, K.; Mizuse, S.; Yamabe, S.,
Solvation of Halide Ions with H2O and CH3CN in the Gas Phase,
J. Phys. Chem., 1988, 92, 13, 3943, https://doi.org/10.1021/j100324a051
. [all data]
Keesee and Castleman, 1980
Keesee, R.G.; Castleman, A.W., Jr.,
Gas phase studies of hydration complexes of Cl- and I- and comparison to electrostatic calculations in the gas phase,
Chem. Phys. Lett., 1980, 74, 139. [all data]
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Notes
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- Symbols used in this document:
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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