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HOCO+


Reaction thermochemistry data

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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

CHO2+ + Carbon dioxide = (CHO2+ bullet Carbon dioxide)

By formula: CHO2+ + CO2 = (CHO2+ bullet CO2)

Quantity Value Units Method Reference Comment
Deltar82.8kJ/molPHPMSSzulejko and McMahon, 1992gas phase
Deltar75.3kJ/molPHPMSHiraoka, Shoda, et al., 1986gas phase
Deltar79.9kJ/molPHPMSJennings, Headley, et al., 1982gas phase
Deltar84.1kJ/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar111.J/mol*KPHPMSSzulejko and McMahon, 1992gas phase
Deltar92.9J/mol*KPHPMSHiraoka, Shoda, et al., 1986gas phase
Deltar113.J/mol*KPHPMSJennings, Headley, et al., 1982gas phase
Deltar101.J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase

(CHO2+ bullet 2Carbon dioxide) + Carbon dioxide = (CHO2+ bullet 3Carbon dioxide)

By formula: (CHO2+ bullet 2CO2) + CO2 = (CHO2+ bullet 3CO2)

Quantity Value Units Method Reference Comment
Deltar25.kJ/molPHPMSHiraoka, Shoda, et al., 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AHiraoka, Shoda, et al., 1986gas phase; Entropy change calculated or estimated

(CHO2+ bullet Carbon dioxide) + Carbon dioxide = (CHO2+ bullet 2Carbon dioxide)

By formula: (CHO2+ bullet CO2) + CO2 = (CHO2+ bullet 2CO2)

Quantity Value Units Method Reference Comment
Deltar29.kJ/molPHPMSHiraoka, Shoda, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar96.2J/mol*KPHPMSHiraoka, Shoda, et al., 1986gas 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

CHO2+ + Carbon dioxide = (CHO2+ bullet Carbon dioxide)

By formula: CHO2+ + CO2 = (CHO2+ bullet CO2)

Quantity Value Units Method Reference Comment
Deltar82.8kJ/molPHPMSSzulejko and McMahon, 1992gas phase
Deltar75.3kJ/molPHPMSHiraoka, Shoda, et al., 1986gas phase
Deltar79.9kJ/molPHPMSJennings, Headley, et al., 1982gas phase
Deltar84.1kJ/molPHPMSMeot-Ner (Mautner) and Field, 1977gas phase
Quantity Value Units Method Reference Comment
Deltar111.J/mol*KPHPMSSzulejko and McMahon, 1992gas phase
Deltar92.9J/mol*KPHPMSHiraoka, Shoda, et al., 1986gas phase
Deltar113.J/mol*KPHPMSJennings, Headley, et al., 1982gas phase
Deltar101.J/mol*KPHPMSMeot-Ner (Mautner) and Field, 1977gas phase

(CHO2+ bullet Carbon dioxide) + Carbon dioxide = (CHO2+ bullet 2Carbon dioxide)

By formula: (CHO2+ bullet CO2) + CO2 = (CHO2+ bullet 2CO2)

Quantity Value Units Method Reference Comment
Deltar29.kJ/molPHPMSHiraoka, Shoda, et al., 1986gas phase
Quantity Value Units Method Reference Comment
Deltar96.2J/mol*KPHPMSHiraoka, Shoda, et al., 1986gas phase

(CHO2+ bullet 2Carbon dioxide) + Carbon dioxide = (CHO2+ bullet 3Carbon dioxide)

By formula: (CHO2+ bullet 2CO2) + CO2 = (CHO2+ bullet 3CO2)

Quantity Value Units Method Reference Comment
Deltar25.kJ/molPHPMSHiraoka, Shoda, et al., 1986gas phase; Entropy change calculated or estimated
Quantity Value Units Method Reference Comment
Deltar100.J/mol*KN/AHiraoka, Shoda, et al., 1986gas 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)(2nu)
TTentative assignment or approximate value
A0~1 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 «nu»1 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 «nu»1 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