HCO2 anion


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.

Individual Reactions

HCO2 anion + Hydrogen cation = Formic acid

By formula: CHO2- + H+ = CH2O2

Quantity Value Units Method Reference Comment
Δr346.2 ± 1.2kcal/molD-EAKim, Bradforth, et al., 1995gas phase; dHacid(0K) = 344.67±0.62 kcal/mol; B
Δr345.3 ± 2.2kcal/molG+TSCaldwell, Renneboog, et al., 1989gas phase; B
Δr345.4 ± 2.2kcal/molG+TSFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr345.2 ± 2.9kcal/molG+TSCumming and Kebarle, 1978gas phase; B
Δr340.1 ± 4.6kcal/molEIAEMuftakhov, Vasil'ev, et al., 1999gas phase; B
Quantity Value Units Method Reference Comment
Δr339.2 ± 1.5kcal/molH-TSKim, Bradforth, et al., 1995gas phase; dHacid(0K) = 344.67±0.62 kcal/mol; B
Δr338.3 ± 2.0kcal/molIMRECaldwell, Renneboog, et al., 1989gas phase; B
Δr338.4 ± 2.0kcal/molIMREFujio, McIver, et al., 1981gas phase; value altered from reference due to change in acidity scale; B
Δr338.2 ± 2.0kcal/molIMRECumming and Kebarle, 1978gas phase; B

HCO2 anion + Water = (HCO2 anion • Water)

By formula: CHO2- + H2O = (CHO2- • H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr16.0 ± 1.0kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.0cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr9.1 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B
Δr8.40 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B
Δr9.20 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M

HCO2 anion + Hydrogen cyanide = (HCO2 anion • Hydrogen cyanide)

By formula: CHO2- + CHN = (CHO2- • CHN)

Quantity Value Units Method Reference Comment
Δr22.0kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Δr21.4cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr15.6 ± 1.6kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy of 22.0 eu assumed.; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
11.8473.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(HCO2 anion • Hydrogen cyanide) + Hydrogen cyanide = (HCO2 anion • 2Hydrogen cyanide)

By formula: (CHO2- • CHN) + CHN = (CHO2- • 2CHN)

Quantity Value Units Method Reference Comment
Δr17.8kcal/molPHPMSMeot-ner, 1988gas phase; M,B,M
Quantity Value Units Method Reference Comment
Δr22.cal/mol*KN/AMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M
Δr23.6cal/mol*KPHPMSMeot-ner, 1988gas phase; M
Quantity Value Units Method Reference Comment
Δr10.70kcal/molTDAsMeot-ner, Cybulski, et al., 1988gas phase; Entropy estimated; B

Free energy of reaction

ΔrG° (kcal/mol) T (K) Method Reference Comment
9.6350.PHPMSMeot-ner, Cybulski, et al., 1988gas phase; Entropy change calculated or estimated; M

(HCO2 anion • 2Water) + Water = (HCO2 anion • 3Water)

By formula: (CHO2- • 2H2O) + H2O = (CHO2- • 3H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr12.1 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr5.10 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr5.20 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

(HCO2 anion • Water) + Water = (HCO2 anion • 2Water)

By formula: (CHO2- • H2O) + H2O = (CHO2- • 2H2O)

Bond type: Hydrogen bond (negative ion to hydride)

Quantity Value Units Method Reference Comment
Δr13.8 ± 1.5kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B
Quantity Value Units Method Reference Comment
Δr6.80 ± 0.30kcal/molTDAsBlades, Klassen, et al., 1995gas phase; T: 293 K. ΔSaff approx. 24 cal/mol-K; B,M
Δr6.90 ± 0.20kcal/molN/AViidanoja, Reiner, et al., 2000gas phase; B

HCO2 anion + Formic acid = (HCO2 anion • Formic acid)

By formula: CHO2- + CH2O2 = (CHO2- • CH2O2)

Quantity Value Units Method Reference Comment
Δr36.8 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr39.1cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; large ΔrH, ΔrS,; cyclic structure? pyrolysis?; M
Quantity Value Units Method Reference Comment
Δr25.1 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(HCO2 anion • 4Formic acid) + Formic acid = (HCO2 anion • 5Formic acid)

By formula: (CHO2- • 4CH2O2) + CH2O2 = (CHO2- • 5CH2O2)

Quantity Value Units Method Reference Comment
Δr10.1 ± 2.0kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr12.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; Entropy change is questionable; M

(HCO2 anion • 3Formic acid) + Formic acid = (HCO2 anion • 4Formic acid)

By formula: (CHO2- • 3CH2O2) + CH2O2 = (CHO2- • 4CH2O2)

Quantity Value Units Method Reference Comment
Δr14.2 ± 2.1kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr21.5cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(HCO2 anion • 2Formic acid) + Formic acid = (HCO2 anion • 3Formic acid)

By formula: (CHO2- • 2CH2O2) + CH2O2 = (CHO2- • 3CH2O2)

Quantity Value Units Method Reference Comment
Δr20.0 ± 2.6kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr30.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

(HCO2 anion • Formic acid) + Formic acid = (HCO2 anion • 2Formic acid)

By formula: (CHO2- • CH2O2) + CH2O2 = (CHO2- • 2CH2O2)

Quantity Value Units Method Reference Comment
Δr26.1 ± 3.1kcal/molN/ALuczynski, Wlodek, et al., 1978gas phase; Buffer gas H2. There may be appreciable fractionation of neutral gases: Williamson, Knighton, et al., 1996; B,M
Quantity Value Units Method Reference Comment
Δr34.cal/mol*KHPMSLuczynski, Wlodek, et al., 1978gas phase; M

HCO2 anion + Methyl Alcohol = (HCO2 anion • Methyl Alcohol)

By formula: CHO2- + CH4O = (CHO2- • CH4O)

Quantity Value Units Method Reference Comment
Δr17.6 ± 1.0kcal/molN/AMeot-Ner and Sieck, 1986gas phase; B,M
Quantity Value Units Method Reference Comment
Δr23.6cal/mol*KPHPMSMeot-Ner and Sieck, 1986gas phase; M
Quantity Value Units Method Reference Comment
Δr10.5 ± 1.6kcal/molTDAsMeot-Ner and Sieck, 1986gas phase; B

(HCO2 anion • 4294967295Carbon dioxide) + Carbon dioxide = HCO2 anion

By formula: (CHO2- • 4294967295CO2) + CO2 = CHO2-

Quantity Value Units Method Reference Comment
Δr51.6 ± 2.3kcal/molN/ACaldwell, Renneboog, et al., 1989gas 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.

Kim, Bradforth, et al., 1995
Kim, E.H.; Bradforth, S.E.; Arnold, D.W.; Metz, R.B.; Neumark, D.M., Study of HCO2 and DCO2 by Negative Ion Photoelectron Spectroscopy, J. Chem. Phys., 1995, 103, 18, 7801, https://doi.org/10.1063/1.470196 . [all data]

Caldwell, Renneboog, et al., 1989
Caldwell, G.; Renneboog, R.; Kebarle, P., Gas Phase Acidities of Aliphatic Carboxylic Acids, Based on Measurements of Proton Transfer Equilibria, Can. J. Chem., 1989, 67, 4, 661, https://doi.org/10.1139/v89-092 . [all data]

Fujio, McIver, et al., 1981
Fujio, M.; McIver, R.T., Jr.; Taft, R.W., Effects on the acidities of phenols from specific substituent-solvent interactions. Inherent substituent parameters from gas phase acidities, J. Am. Chem. Soc., 1981, 103, 4017. [all data]

Cumming and Kebarle, 1978
Cumming, J.B.; Kebarle, P., Summary of gas phase measurements involving acids AH. Entropy changes in proton transfer reactions involving negative ions. Bond dissociation energies D(A-H) and electron affinities EA(A), Can. J. Chem., 1978, 56, 1. [all data]

Muftakhov, Vasil'ev, et al., 1999
Muftakhov, M.V.; Vasil'ev, Y.V.; Mazunov, V.A., Determination of electron affinity of carbonyl radicals by means of negative ion mass spectrometry, Rapid Commun. Mass Spectrom., 1999, 13, 12, 1104-1108, https://doi.org/10.1002/(SICI)1097-0231(19990630)13:12<1104::AID-RCM619>3.0.CO;2-C . [all data]

Meot-Ner and Sieck, 1986
Meot-Ner, M.; Sieck, L.W., The ionic hydrogen bond and ion solvation. 5. OH...O- bonds. Gas phase solvation and clustering of alkoxide and carboxylate anions, J. Am. Chem. Soc., 1986, 108, 7525. [all data]

Viidanoja, Reiner, et al., 2000
Viidanoja, J.; Reiner, T.; Kiendler, A.; Grimm, F.; Arnold, F., Laboratory investigations of negative ion molecule reactions of propionic, butyric, glyoxylic, pyruvic, and pinonic acids, Int. J. Mass Spectrom., 2000, 194, 1, 53-68, https://doi.org/10.1016/S1387-3806(99)00172-4 . [all data]

Blades, Klassen, et al., 1995
Blades, A.T.; Klassen, J.S.; Kebarle, P., Free Energies of Hydration in the Gas Phase on the Anions of Some Oxo Acids of C, N, S, P, Cl and I, J. Am. Chem. Soc., 1995, 117, 42, 10563, https://doi.org/10.1021/ja00147a019 . [all data]

Meot-ner, 1988
Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-, J. Am. Chem. Soc., 1988, 110, 12, 3854, https://doi.org/10.1021/ja00220a022 . [all data]

Meot-ner, Cybulski, et al., 1988
Meot-ner, M.; Cybulski, S.M.; Scheiner, S.; Liebman, J.F., Is CN- Significantly Anisotropic? Comparison of CN- vs. Cl-: Clustering with HCN and Condensed Phase Thermochemistry, J. Phys. Chem., 1988, 92, 10, 2738, https://doi.org/10.1021/j100321a009 . [all data]

Luczynski, Wlodek, et al., 1978
Luczynski, Z.; Wlodek, S.; Wincel, H., Stabilities of HCOO-.(HCOOH)n and Cl-.(HCOOH)n clusters, Int. J. Mass Spectrom. Ion Phys., 1978, 26, 103. [all data]

Williamson, Knighton, et al., 1996
Williamson, D.H.; Knighton, W.B.; Grimsrud, E.P., Pulsed High Pressure Mass Spectrometry with Near-Viscous Flow Ion Sampling, Int. J. Mass Spectrom. Ion Proc., 1996, 154, 1-2, 15, https://doi.org/10.1016/0168-1176(96)04372-8 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, References