HOCO+
- Formula: CHO2+
- Molecular weight: 45.0169
- CAS Registry Number: 638-71-1
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Reaction thermochemistry data
Go To: Top, Ion clustering data, Vibrational and/or electronic energy levels, 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: 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.
Individual Reactions
By formula: CHO2+ + CO2 = (CHO2+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase |
ΔrH° | 18.0 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase |
ΔrH° | 19.1 | kcal/mol | PHPMS | Jennings, Headley, et al., 1982 | gas phase |
ΔrH° | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase |
ΔrS° | 27.1 | cal/mol*K | PHPMS | Jennings, Headley, et al., 1982 | gas phase |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase |
By formula: (CHO2+ • 2CO2) + CO2 = (CHO2+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.9 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated |
By formula: (CHO2+ • CO2) + CO2 = (CHO2+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase |
Ion clustering data
Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, 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: 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. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: CHO2+ + CO2 = (CHO2+ • CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 19.8 | kcal/mol | PHPMS | Szulejko and McMahon, 1992 | gas phase |
ΔrH° | 18.0 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase |
ΔrH° | 19.1 | kcal/mol | PHPMS | Jennings, Headley, et al., 1982 | gas phase |
ΔrH° | 20.1 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.6 | cal/mol*K | PHPMS | Szulejko and McMahon, 1992 | gas phase |
ΔrS° | 22.2 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase |
ΔrS° | 27.1 | cal/mol*K | PHPMS | Jennings, Headley, et al., 1982 | gas phase |
ΔrS° | 24.2 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Field, 1977 | gas phase |
By formula: (CHO2+ • CO2) + CO2 = (CHO2+ • 2CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 6.9 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.0 | cal/mol*K | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase |
By formula: (CHO2+ • 2CO2) + CO2 = (CHO2+ • 3CO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 5.9 | kcal/mol | PHPMS | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 24. | cal/mol*K | N/A | Hiraoka, Shoda, et al., 1986 | gas phase; Entropy change calculated or estimated |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, Ion clustering 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: Marilyn E. Jacox
State: X
Vib. sym. |
No. | Approximate type of mode |
cm-1 | Med. | Method | References | |
---|---|---|---|---|---|---|---|
a' | 1 | OH stretch | 3375.37 | gas | LD | Amano and Tanaka, 1985 Amano and Tanaka, 1985, 2 | |
1 | OH stretch | 3328.3 | H | gas | PF | Dopfer, Olkhov, et al., 1998 | |
1 | OH stretch | 3255.3 | gas | PF | Dopfer, Olkhov, et al., 1998 | ||
1 | OH stretch | 2671 ± 3 | A | gas | PF | Dopfer, Olkhov, et al., 1998 Douberly, Ricks, et al., 2008 | |
1 | OH stretch | 3280.9 | Ne | IR | Jacox and Thompson, 2003 | ||
2 | OCO a-stretch | 2300 | T | gas | PI | Ruscic, Schwartz, et al., 1989 Ruscic and Litorja, 2000 | |
2 | OCO a-stretch | 2399 ± 2 | A | gas | PF | Douberly, Ricks, et al., 2008 | |
2 | OCO a-stretch | 2400.4 | Ne | IR | Jacox and Thompson, 2003 | ||
4 | OH deform. | 1019.9 | Ne | IR | Jacox and Thompson, 2003 | ||
Additional references: Jacox, 1994, page 165; Bogey, Demuynck, et al., 1984; Bogey, Demuynck, et al., 1986; Bogey, Demuynck, et al., 1988
Notes
H | (1/2)(2ν) |
T | Tentative assignment or approximate value |
A | 0~1 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Szulejko and McMahon, 1992
Szulejko, J.; McMahon, T.B.,
personal communication, 1992. [all data]
Hiraoka, Shoda, et al., 1986
Hiraoka, K.; Shoda, T.; Morise, K.; Yamabe, S.; Kawai, E.; Hirao, K.,
Stability and structure of cluster ions in the gas phase: Carbon dioxide with Cl-, H3O+, HCO2+ and HCO+,
J. Chem. Phys., 1986, 84, 2091. [all data]
Jennings, Headley, et al., 1982
Jennings, K.R.; Headley, J.V.; Mason, R.S.,
The Temperature Dependence of Ion - Molecule Association Reactions,
Int. J. Mass. Spectrom. Ion Phys, 1982, 45, 315. [all data]
Meot-Ner (Mautner) and Field, 1977
Meot-Ner (Mautner), M.; Field, F.H.,
Proton Affinity and Ion - Molecule Clustering in CO2 and CS2. Applications in Martian Ionospheric Chemistry,
J. Chem. Phys., 1977, 66, 10, 4527, https://doi.org/10.1063/1.433706
. [all data]
Amano and Tanaka, 1985
Amano, T.; Tanaka, K.,
Difference frequency laser spectroscopy of the ν1 band of HOCO+,
J. Chem. Phys., 1985, 82, 2, 1045, https://doi.org/10.1063/1.448524
. [all data]
Amano and Tanaka, 1985, 2
Amano, T.; Tanaka, K.,
Difference frequency laser spectroscopy of the ν1 fundamental band of HOCO+,
J. Chem. Phys., 1985, 83, 8, 3721, https://doi.org/10.1063/1.449133
. [all data]
Dopfer, Olkhov, et al., 1998
Dopfer, O.; Olkhov, R.V.; Roth, D.; Maier, J.P.,
Intermolecular interaction in proton-bound dimers.,
Chem. Phys. Lett., 1998, 296, 5-6, 585, https://doi.org/10.1016/S0009-2614(98)01079-3
. [all data]
Douberly, Ricks, et al., 2008
Douberly, G.E.; Ricks, A.M.; Ticknor, B.W.; Duncan, M.A.,
Structure of Protonated Carbon Dioxide Clusters: Infrared Photodissociation Spectroscopy and ab Initio Calculations,
J. Phys. Chem. A, 2008, 112, 5, 950, https://doi.org/10.1021/jp7098587
. [all data]
Jacox and Thompson, 2003
Jacox, M.E.; Thompson, W.E.,
Infrared spectra of HOCO[sup +] and of the complex of H[sub 2] with CO[sub 2][sup -] trapped in solid neon,
J. Chem. Phys., 2003, 119, 20, 10824, https://doi.org/10.1063/1.1621383
. [all data]
Ruscic, Schwartz, et al., 1989
Ruscic, B.; Schwartz, M.; Berkowitz, J.,
A photoionization study of the COOH species,
J. Chem. Phys., 1989, 91, 6780. [all data]
Ruscic and Litorja, 2000
Ruscic, B.; Litorja, M.,
Photoionization of HOCO revisited: a new upper limit to the adiabatic ionization energy and lower limit to the enthalpy of formation,
Chem. Phys. Lett., 2000, 316, 1-2, 45, https://doi.org/10.1016/S0009-2614(99)01267-1
. [all data]
Jacox, 1994
Jacox, M.E.,
Vibrational and electronic energy levels of polyatomic transient molecules, American Chemical Society, Washington, DC, 1994, 464. [all data]
Bogey, Demuynck, et al., 1984
Bogey, M.; Demuynck, C.; Destombes, J.L.,
Astron. Astrophys., 1984, 138, L11. [all data]
Bogey, Demuynck, et al., 1986
Bogey, M.; Demuynck, C.; Destombes, J.-L.,
The submillimeter wave spectrum of the protonated and deuterated carbon dioxide,
J. Chem. Phys., 1986, 84, 1, 10, https://doi.org/10.1063/1.450184
. [all data]
Bogey, Demuynck, et al., 1988
Bogey, M.; Demuynck, C.; Destombes, J.L.; Krupnov, A.,
Molecular structure of HOCO+,
J. Mol. Struct., 1988, 190, 465, https://doi.org/10.1016/0022-2860(88)80305-3
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Ion clustering data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
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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