Water
- Formula: H2O
- Molecular weight: 18.0153
- IUPAC Standard InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N
- CAS Registry Number: 7732-18-5
- 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: Water vapor; Distilled water; Ice; H2O; Dihydrogen oxide; steam; Tritiotope
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- Other data available:
- Gas phase thermochemistry data
- Condensed phase thermochemistry data
- Phase change data
- Reaction thermochemistry data: reactions 1 to 50, reactions 101 to 150, reactions 151 to 200, reactions 201 to 250, reactions 251 to 300, reactions 301 to 350, reactions 351 to 400, reactions 401 to 450, reactions 451 to 500, reactions 501 to 550, reactions 551 to 600, reactions 601 to 650, reactions 651 to 700, reactions 701 to 750, reactions 751 to 800, reactions 801 to 850, reactions 851 to 900, reactions 901 to 950, reactions 951 to 1000, reactions 1001 to 1050, reactions 1051 to 1100, reactions 1101 to 1150, reactions 1151 to 1200, reactions 1201 to 1250, reactions 1251 to 1300, reactions 1301 to 1350, reactions 1351 to 1360
- Gas phase ion energetics data
- Ion clustering data
- IR Spectrum
- Mass spectrum (electron ionization)
- Vibrational and/or electronic energy levels
- Gas Chromatography
- Fluid Properties
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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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
RCD - Robert C. Dunbar
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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 51 to 100
By formula: Cu+ + H2O = (Cu+ • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.9 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
ΔrH° | 35. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989 | gas phase; M |
ΔrH° | 35. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.4 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
37.5 (+1.9,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (H3O+ • 5H2O) + H2O = (H3O+ • 6H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | PHPMS | Lau, Ikuta, et al., 1982 | gas phase; M |
ΔrH° | 11.7 | kcal/mol | HPMS | Kebarle, Searles, et al., 1967 | gas phase; M |
ΔrH° | 16.09 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; Entropy change is questionable; M |
ΔrH° | 6.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.1 | cal/mol*K | PHPMS | Lau, Ikuta, et al., 1982 | gas phase; M |
ΔrS° | 29.6 | cal/mol*K | HPMS | Kebarle, Searles, et al., 1967 | gas phase; M |
ΔrS° | 82.69 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; Entropy change is questionable; M |
By formula: (Cl- • 4H2O) + H2O = (Cl- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.5 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrH° | 6.70 | 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° | 9.5 ± 0.3 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.7 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.0 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrG° | 2.9 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (F- • 4H2O) + H2O = (F- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.30 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 13.2 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.0 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 30.7 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.5 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 7.10 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 4.6 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Li+ • 3H2O) + H2O = (Li+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.7 ± 1.2 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 16.4 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 15. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 29.9 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.8 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (Li+ • 4H2O) + H2O = (Li+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 13.9 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 12. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 31.4 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.5 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (F- • 3H2O) + H2O = (F- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.90 ± 0.40 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 13.5 ± 1.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
ΔrS° | 26.9 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.9 ± 1.3 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
ΔrG° | 5.50 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B |
ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
By formula: (Cu+ • H2O) + H2O = (Cu+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.9 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
ΔrH° | 39. ± 3. | kcal/mol | CID | Magnera, David, et al., 1989, 2 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25. | cal/mol*K | N/A | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.4 | kcal/mol | HPMS | El-Shall, Schriver, et al., 1989 | gas phase; Entropy change calculated or estimated, Cu+ from laser desorption; M |
Enthalpy of reaction
ΔrH° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
40.6 (+1.7,-0.) | CID | Armentrout and Kickel, 1994 | gas phase; guided ion beam CID; M |
By formula: (CN- • 2H2O) + H2O = (CN- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 ± 1.0 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B,M |
ΔrH° | 10.7 | kcal/mol | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1989 | gas phase; n; M |
ΔrS° | 19.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.8 ± 1.4 | kcal/mol | TDAs | Meot-Ner (Mautner) M. and Speller, 1989 | gas phase; Stated EA is Vertical Detachment Energy, at 12 K. At 298 K, measured Vertical Detachment Energy = 5.50±0.10 eV; B |
By formula: CH3O- + H2O = (CH3O- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.3 ± 2.2 | kcal/mol | CIDT | DeTuri and Ervin, 1999 | gas phase; B |
ΔrH° | 23.9 | kcal/mol | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M,B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Meot-ner and Sieck, 1986 | gas phase; M |
ΔrS° | 22.9 | cal/mol*K | PHPMS | Meot-Ner(Mautner), 1986 | gas phase; n; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 17.00 ± 0.30 | kcal/mol | TDAs | Meot-ner and Sieck, 1986 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
15.4 | 296. | FA | MacKay and Bohme, 1978 | gas phase; From thermochemical cycle,switching reaction(OH-)H2O, DG>; Meot-Ner(Mautner), 1986; M |
By formula: (H4N+ • 2H2O) + H2O = (H4N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.7 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; M |
ΔrH° | 13.4 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
ΔrH° | 12.2 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; M |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.5 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
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 |
(C3H10N+ • 3) +
= (C3H10N+ • 4
)
By formula: (C3H10N+ • 3H2O) + H2O = (C3H10N+ • 4H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.4 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.6 | cal/mol*K | N/A | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.0 | 254. | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; Entropy change calculated or estimated, attributed to MeNH3+.4H2O by error in footnote; M |
By formula: (Rb+ • 2H2O) + H2O = (Rb+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.2 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 13. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.0 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray, Entropy change calculated or estimated; M |
By formula: (CH6N+ • 2H2O) + H2O = (CH6N+ • 3H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.3 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 12.4 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrH° | 12.4 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrS° | 26.4 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.2 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (Rb+ • H2O) + H2O = (Rb+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.6 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.2 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (CH6N+ • H2O) + H2O = (CH6N+ • 2H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.6 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 14.6 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrH° | 14.6 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrS° | 26.7 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.5 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
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: C2F3O2- + H2O = (C2F3O2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.8 ± 1.5 | kcal/mol | N/A | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 13.7 ± 1.0 | kcal/mol | N/A | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.9 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 6.80 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
ΔrG° | 6.5 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
By formula: (Na+ • 4H2O) + H2O = (Na+ • 5H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.7 | kcal/mol | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
ΔrH° | 11.6 | kcal/mol | HPMS | Tang and Castleman, 1972 | gas phase; M |
ΔrH° | 12.3 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.9 | cal/mol*K | HPMS | Tang, Lian, et al., 1976 | gas phase; M |
ΔrS° | 26.5 | cal/mol*K | HPMS | Tang and Castleman, 1972 | gas phase; M |
ΔrS° | 28.1 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.7 | 293. | ES/HPMS | Klassen, Blades, et al., 1995 | gas phase; 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: (Cl- • 5H2O) + H2O = (Cl- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 8.8 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
ΔrH° | 8.50 | 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° | 8.8 ± 0.4 | kcal/mol | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.4 ± 1.0 | kcal/mol | TDAs | Hiraoka and Mizuse, 1987 | gas phase; B |
By formula: C3H10N+ + H2O = (C3H10N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.5 | kcal/mol | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
ΔrH° | 14.5 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 14.5 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.4 | cal/mol*K | PHPMS | El-Shall, Daly, et al., 1992 | gas phase; M |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.6 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: CH6N+ + H2O = (CH6N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.8 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 18.8 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrH° | 18.8 | kcal/mol | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.8 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
ΔrS° | 26.3 | cal/mol*K | PHPMS | Lau and Kebarle, 1981 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.7 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; electric fields; M |
By formula: (K+ • 3H2O) + H2O = (K+ • 4H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 11.8 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 24.7 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.9 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (K+ • H2O) + H2O = (K+ • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrH° | 16.1 | kcal/mol | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
ΔrS° | 24.2 | cal/mol*K | HPMS | Searles and Kebarle, 1969 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
9.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: C7H10N+ + H2O = (C7H10N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.5 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
4.0 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated; ring to N proton shift on hydration; M |
By formula: C7H10NO+ + H2O = (C7H10NO+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.3 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
0.8 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
By formula: C7H10NS + H2O = (C7H10NS • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.6 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
1.1 | 433. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
By formula: C8H12N+ + H2O = (C8H12N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.2 | kcal/mol | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22. | cal/mol*K | N/A | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
3.7 | 434. | PHPMS | Lau, Nishizawa, et al., 1981 | gas phase; Entropy change calculated or estimated, ring to N proton shift on hydration; M |
By formula: NO- + H2O = (NO- • H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.5 | kcal/mol | PHPMS | French, Hills, et al., 1973 | gas phase; M |
ΔrH° | 16.6 | kcal/mol | PES | Eaton, Arnold, et al., 1990 | gas phase; M |
ΔrH° | 22.7 | kcal/mol | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | French, Hills, et al., 1973 | gas phase; M |
ΔrS° | 23.9 | cal/mol*K | MS | Burdett and Hayhurst, 1982 | gas phase; flame source, about 1600 K; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
12.7 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; switching reaction(NO+)NO; M |
By formula: CHO2- + H2O = (CHO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.0 ± 1.0 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Meot-Ner and Sieck, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.1 ± 1.6 | kcal/mol | TDAs | Meot-Ner and Sieck, 1986 | gas phase; B |
ΔrG° | 8.40 ± 0.20 | kcal/mol | N/A | Viidanoja, Reiner, et al., 2000 | gas phase; B |
ΔrG° | 9.20 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: ClO2- + H2O = (ClO2- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.20 ± 0.50 | kcal/mol | Ther | Tschurl and Boesl, 2007 | gas phase; affinity is difference from ClO2- EA, corrected for calculated neutral BE of 0.09 eV; B |
ΔrH° | 16.0 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.00 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
By formula: (HO- • 3H2O) + H2O = (HO- • 4H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 12.0 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrH° | 14.2 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 21.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 29.5 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 5.6 | kcal/mol | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
By formula: (O2- • H2O) + H2O = (O2- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 17.2 ± 1.0 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.1 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.70 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
ΔrG° | 8.5 ± 1.0 | kcal/mol | IMRE | Payzant J.D. and Kebarle, 1972 | gas phase; B |
ΔrG° | 9.7 ± 1.0 | kcal/mol | IMRE | Pack and Phelps, 1971 | gas phase; B |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4 | 300. | PHPMS | Payzant J.D. and Kebarle, 1972 | gas phase; M |
By formula: (Cs+ • 2H2O) + H2O = (Cs+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.7 | kcal/mol | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrH° | 11.2 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.6 | cal/mol*K | DT | McKnight and Sawina, 1972 | gas phase; Entropy change is questionable; M |
ΔrS° | 23.7 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 4.8 | kcal/mol | HPMS | Banic and Iribarne, 1985 | gas phase; From thermochemical cycle,switching reaction, electric fields; M |
By formula: (H3O+ • 6H2O) + H2O = (H3O+ • 7H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.7 | kcal/mol | CID | Magnera, David, et al., 1991 | gas phase; M |
ΔrH° | 10.3 | kcal/mol | HPMS | Kebarle, Searles, et al., 1967 | gas phase; M |
ΔrH° | 12.03 | kcal/mol | MKER | Shi, Ford, et al., 1993 | gas phase; Entropy change is questionable; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27. | cal/mol*K | HPMS | Kebarle, Searles, et al., 1967 | gas phase; M |
ΔrS° | 52.31 | cal/mol*K | MKER | Shi, Ford, et al., 1993 | gas phase; Entropy change is questionable; M |
By formula: (NO- • H2O) + H2O = (NO- • 2H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.70 | kcal/mol | N/A | Eaton, Arnold, et al., 1990 | gas phase; Vertical Detachment Energy: 1.860±0.020 eV; B,M |
ΔrH° | 16.1 | kcal/mol | PHPMS | French, Hills, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 25.5 | cal/mol*K | PHPMS | French, Hills, et al., 1973 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
8.4 | 293. | HPMS | McAdams and Bone, 1972 | gas phase; M |
8.5 | 296. | FA | Howard, Rundle, et al., 1971 | gas phase; M |
8.5 | 296. | SAMS | Puckett and Teague, 1971 | gas phase; M |
By formula: (Br- • 4H2O) + H2O = (Br- • 5H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.80 ± 0.30 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.2 ± 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° | 28.4 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 2.3 ± 1.2 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Br- • 5H2O) + H2O = (Br- • 6H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.30 ± 0.50 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B,M |
ΔrH° | 6.0 ± 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° | 28.2 | cal/mol*K | PHPMS | Hiraoka, Mizuse, et al., 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1.8 ± 2.1 | kcal/mol | TDAs | Hiraoka, Mizuse, et al., 1988 | gas phase; B |
By formula: (Mg+2 • 10H2O) + H2O = (Mg+2 • 11H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
7.2 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
7.4 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (Mg+2 • 11H2O) + H2O = (Mg+2 • 12H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | N/A | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
6.6 | 293. | ES/HPMS | Blades, Klassen, et al., 1995 | gas phase; M |
7.2 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electospray, Entropy change calculated or estimated; M |
By formula: (O2- • 2H2O) + H2O = (O2- • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.4 ± 1.0 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.2 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 7.00 | kcal/mol | TDAs | Arshadi and Kebarle, 1970 | gas phase; B |
ΔrG° | 6.1 ± 2.0 | kcal/mol | TDAs | Kebarle, Arshadi, et al., 1968 | gas phase; B,M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
5.3 | 296. | FA | Fehsenfeld and Ferguson, 1974 | gas phase; M |
7.1 | 300. | PHPMS | Payzant J.D. and Kebarle, 1972 | gas phase; M |
By formula: (HO- • 2H2O) + H2O = (HO- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 16.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrH° | 15.1 | kcal/mol | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
ΔrH° | 18. | kcal/mol | CID | DePaz, Giardini, et al., 1970 | gas phase; deuterated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; deuterated; M |
ΔrS° | 24.8 | cal/mol*K | PHPMS | Arshadi and Kebarle, 1970 | gas phase; deuterated; M |
By formula: (NO3- • 2H2O) + H2O = (NO3- • 3H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 10.9 ± 1.5 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B |
ΔrH° | 13.8 | kcal/mol | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 33.2 | cal/mol*K | HPMS | Lee, Keesee, et al., 1980 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 3.90 ± 0.30 | kcal/mol | TDAs | Blades, Klassen, et al., 1995 | gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M |
HO- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 390.330 ± 0.010 | kcal/mol | D-EA | Smith, Kim, et al., 1997 | gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B |
ΔrH° | 387.70 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnBr3-; ; ΔS(EA)=1.7; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 383.740 ± 0.060 | kcal/mol | H-TS | Smith, Kim, et al., 1997 | gas phase; Given: 14741.02(3) cm-1. dHacid(0K) = 389.11±0.014; B |
ΔrG° | 381.10 | kcal/mol | N/A | Check, Faust, et al., 2001 | gas phase; MnBr3-; ; ΔS(EA)=1.7; B |
By formula: (Li+ • 2H2O) + H2O = (Li+ • 3H2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 22.5 ± 1.0 | kcal/mol | CIDT | Rodgers and Armentrout, 2000 | RCD |
ΔrH° | 17. ± 3. | kcal/mol | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray; M |
ΔrH° | 20.7 | kcal/mol | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23. | cal/mol*K | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray; M |
ΔrS° | 24.9 | cal/mol*K | HPMS | Dzidic and Kebarle, 1970 | gas phase; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
10.0 | 300. | HPMS | Blades, Jayaweera, et al., 1990 | gas phase; electrospray; M |
By formula: H4N+ + H2O = (H4N+ • H2O)
Bond type: Hydrogen bond (positive ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 20.6 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; M |
ΔrH° | 19.9 | kcal/mol | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrH° | 17.3 | kcal/mol | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Speller, 1986 | gas phase; M |
ΔrS° | 23.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner), 1984 | gas phase; M |
ΔrS° | 19.7 | cal/mol*K | PHPMS | Payzant, Cunningham, et al., 1973 | gas phase; M |
By formula: H2O + C5H12O2 = 2CH4O + C3H6O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 4.86 ± 0.01 | kcal/mol | Cm | Wiberg, Morgan, et al., 1994 | liquid phase; ALS |
ΔrH° | 4.88 ± 0.01 | kcal/mol | Cm | Wiberg and Squires, 1979 | liquid phase; Heat of hydrolysis; ALS |
ΔrH° | 4.8836 ± 0.0067 | kcal/mol | Cm | Wiberg and Squires, 1979, 2 | liquid phase; solvent: Water; Hydrolysis; ALS |
ΔrH° | -3.95 ± 0.05 | kcal/mol | Cm | Stern and Dorer, 1962 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = 3.69 ± 0.05 kcal/mol; Heat of hydrolysis; ALS |
By formula: F- + H2O = (F- • H2O)
Bond type: Hydrogen bond (negative ion to hydride)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.40 ± 0.50 | kcal/mol | TDAs | Weis, Kemper, et al., 1999 | gas phase; B |
ΔrH° | 23.30 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 17.4 | cal/mol*K | HPMS | Arshadi, Yamdagni, et al., 1970 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 21.90 ± 0.50 | kcal/mol | TDAs | Weis, Kemper, et al., 1999 | gas phase; B |
ΔrG° | 18.1 ± 2.0 | kcal/mol | TDAs | Arshadi, Yamdagni, et al., 1970 | gas phase; 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.
El-Shall, Schriver, et al., 1989
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Notes
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- Symbols used in this document:
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