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Hydrocarboxyl radical


Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
B - John E. Bartmess

View reactions leading to CHO2+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)623.4kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity590.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion597. ± 8.kJ/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K590. ± 8.kJ/molN/AN/A 

Electron affinity determinations

EA (eV) Method Reference Comment
1.510 ± 0.010LPESJohnson, Harding, et al., 2011trans isomer. See Wang, Li, et al., 2014 for computational analysis; B
1.380 ± 0.010LPESJohnson, Harding, et al., 2011cis isomer; B
3.4961 ± 0.0010LPESGarand, Klein, et al., 2010B
1.18LPESLu, Hu, et al., 2007Stated EA is Vertical Detachment Energy. See also Johnson and Continetti, 2010 for cooled ions (same EA); B
2.180 ± 0.020LPESClements, Continetti, et al., 2002B
3.498 ± 0.015LPESKim, Bradforth, et al., 1995dHacid(0K) = 344.67±0.62 kcal/mol; B
3.54 ± 0.11D-EACaldwell, Renneboog, et al., 1989B

Ionization energy determinations

IE (eV) Method Reference Comment
8.20DERBerkowitz, Ellison, et al., 1994LL
8.486 ± 0.012PIRuscic, Schwartz, et al., 1989LL

References

Go To: Top, Gas phase ion energetics data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Johnson, Harding, et al., 2011
Johnson, C.J.; Harding, M.E.; Poad, B.L.J.; Stanton, J.F.; Continetti, R.E., Electron Affinities, Well Depths, and Vibrational Spectroscopy of cis- and trans-HOCO, J. Am. Chem. Soc., 2011, 133, 49, 19606-19609, https://doi.org/10.1021/ja207724f . [all data]

Wang, Li, et al., 2014
Wang, J.; Li, J.; Ma, J.Y.; Guo, H., Full-dimensional characterization of photoelectron spectra of HOCO- and DOCO- and tunneling facilitated decay of HOCO prepared by anion photodetachment, Journal Of Chemical Physics, 2014, 140, 18, 184314, https://doi.org/10.1063/1.4874975 . [all data]

Garand, Klein, et al., 2010
Garand, E.; Klein, K.; Stanton, J.F.; Zhou, J.; Yacovitch, T.I.; Neumark, D.M., Vibronic Structure of the Formyloxyl Radical (HCO2) via Slow Photoelectron Velocity-Map Imaging Spectroscopy and Model Hamiltonian Calculations, J. Phys. Chem. A, 2010, 114, 3, 1374-1383, https://doi.org/10.1021/jp9067894 . [all data]

Lu, Hu, et al., 2007
Lu, Z.; Hu, Q.C.; Oakman, J.E.; Continetti, R.E., Dynamics on the HOCO potential energy surface studied by dissociative photodetachment of HOCO- and DOCO-, J. Chem. Phys., 2007, 126, 19, 194305, https://doi.org/10.1063/1.2731787 . [all data]

Johnson and Continetti, 2010
Johnson, C.J.; Continetti, R.E., Dissociative Photodetachment Studies of Cooled HOCO- Anions Revealing Dissociation Below the Barrier to H + CO2, J. Phys. Chem. Lett., 2010, 1, 12, 1895-1899, https://doi.org/10.1021/jz100621k . [all data]

Clements, Continetti, et al., 2002
Clements, T.G.; Continetti, R.E.; Francisco, J.S., Exploring the OH+CO - H+CO2 potential surface via dissociative photodetachment of (HOCO)(-), J. Chem. Phys., 2002, 117, 14, 6478-6488, https://doi.org/10.1063/1.1505439 . [all data]

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]

Berkowitz, Ellison, et al., 1994
Berkowitz, J.; Ellison, G.B.; Gutman, D., Three methods to measure RH bond energies, J. Phys. Chem., 1994, 98, 2744. [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]


Notes

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