CH2OH+


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

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Individual Reactions

CH2OH+ + Water = (CH2OH+ • Water)

By formula: CH3O+ + H2O = (CH3O+ • H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr119.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase; switching reaction(H3O+)H2O; Davidson, Sunner J., et al., 1979, Lias, Liebman, et al., 1984
Δr117.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction((CH3)2O)2H+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Yamdagni and Kebarle, 1976, Wolf, Staley, et al., 1977
Δr119.kJ/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr120.kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr120.kJ/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992
Quantity Value Units Method Reference Comment
Δr113.J/mol*KN/ABerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr113.J/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr112.J/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992
Quantity Value Units Method Reference Comment
Δr85.4kJ/molICRBerman and Beauchamp, 1980gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr85.8kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992

CH2OH+ + Formaldehyde = (CH2OH+ • Formaldehyde)

By formula: CH3O+ + CH2O = (CH3O+ • CH2O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity Value Units Method Reference Comment
Δr116.kJ/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Δr123.kJ/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992
Δr116.kJ/molICRLarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Δr111.J/mol*KN/ALarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Δr115.J/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992
Δr111.J/mol*KN/ALarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984
Quantity Value Units Method Reference Comment
Δr82.8kJ/molICRLarson and McMahon, 1982gas phase; switching reaction(H3O+)H2O, Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984, Keesee and Castleman, 1986
Δr82.8kJ/molICRLarson, Clair, et al., 1982gas phase; From thermochemical cycle,switching reaction(H2O/H2CO), Entropy change calculated or estimated; Cunningham, Payzant, et al., 1972, Lias, Liebman, et al., 1984

(CH2OH+ • Water) + Water = (CH2OH+ • 2Water)

By formula: (CH3O+ • H2O) + H2O = (CH3O+ • 2H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr90.0kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Δr83.3kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr82.8kJ/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992
Quantity Value Units Method Reference Comment
Δr113.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase
Δr110.J/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr110.J/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992
Quantity Value Units Method Reference Comment
Δr50.6kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)2H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992

(CH2OH+ • 2Water) + Water = (CH2OH+ • 3Water)

By formula: (CH3O+ • 2H2O) + H2O = (CH3O+ • 3H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr73.6kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Δr70.7kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr71.1kJ/molFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992
Quantity Value Units Method Reference Comment
Δr107.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase
Δr109.J/mol*KN/ABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992
Δr109.J/mol*KFAFehsenfeld, Dotan, et al., 1978gas phase; From thermochemical cycle,switching reaction(H3O+)H2O; Lias, Liebman, et al., 1984, Meot-Ner (Mautner), 1992
Quantity Value Units Method Reference Comment
Δr38.kJ/molFABohme, Mackay, et al., 1979gas phase; From thermochemical cycle,switching reaction(H3O+)3H2O, Entropy change calculated or estimated; Lias, Liebman, et al., 1984, Fehsenfeld, Dotan, et al., 1978, Meot-Ner (Mautner), 1992

(CH2OH+ • 3Water) + Water = (CH2OH+ • 4Water)

By formula: (CH3O+ • 3H2O) + H2O = (CH3O+ • 4H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr54.0kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr97.1J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(CH2OH+ • 4Water) + Water = (CH2OH+ • 5Water)

By formula: (CH3O+ • 4H2O) + H2O = (CH3O+ • 5H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr46.4kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr94.6J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(CH2OH+ • 6Water) + Water = (CH2OH+ • 7Water)

By formula: (CH3O+ • 6H2O) + H2O = (CH3O+ • 7H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr41.8kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr108.J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

(CH2OH+ • 5Water) + Water = (CH2OH+ • 6Water)

By formula: (CH3O+ • 5H2O) + H2O = (CH3O+ • 6H2O)

Bond type: Hydrogen bond (positive ion to hydride)

Quantity Value Units Method Reference Comment
Δr40.kJ/molPHPMSMeot-Ner (Mautner), 1984gas phase
Quantity Value Units Method Reference Comment
Δr87.0J/mol*KPHPMSMeot-Ner (Mautner), 1984gas phase

CH2OH+ + Hydrogen cyanide = (CH2OH+ • Hydrogen cyanide)

By formula: CH3O+ + CHN = (CH3O+ • CHN)

Quantity Value Units Method Reference Comment
Δr86.2kJ/molFATanaka, Mackay, et al., 1978gas phase; switching reaction(H2COH+)H2CO; Fehsenfeld, Dotan, et al., 1978, Cunningham, Payzant, et al., 1972

Vibrational and/or electronic energy levels

Go To: Top, Reaction thermochemistry 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

1 OH stretch 3422.802 gas LD Amano and Warner, 1989
a' 1 OH stretch 3182 A gas PF Mosley, Cheng, et al., 2012
2 CH2 a-stretch 3124 A gas PF Mosley, Cheng, et al., 2012
3 CH2 s-stretch 2967 A gas PF Mosley, Cheng, et al., 2012
4 CO stretch 1650 ± 30 gas PE Dyke, Ellis, et al., 1984
4 CO stretch 1628 A gas PF Mosley, Cheng, et al., 2012
5 CH2 scissor 1449 A gas PF Mosley, Cheng, et al., 2012
6 CH2 deform. 1370 ± 30 gas PE Dyke, Ellis, et al., 1984
6 HCOH deform. 1351 A gas PF Mosley, Cheng, et al., 2012
a 9 Torsion 1029 A H gas PF Mosley, Cheng, et al., 2012

Additional references: Jacox, 1994, page 235; Jacox, 1998, page 270; Chomiak, Taleb-Bendiab, et al., 1994; Dore, Cazzoli, et al., 1995; Dore, Cazzoli, et al., 1997

Notes

H(1/2)(2ν)
A0~1 cm-1 uncertainty

References

Go To: Top, Reaction thermochemistry 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.

Meot-Ner (Mautner), 1984
Meot-Ner (Mautner), M., The Ionic Hydrogen Bond and Ion Solvation. 2. Hydration of Onium Ions by 1 - 7 H2O Molecules. Relations Between Monomolecular, Specific and Bulk Hydration, J. Am. Chem. Soc., 1984, 106, 5, 1265, https://doi.org/10.1021/ja00317a016 . [all data]

Davidson, Sunner J., et al., 1979
Davidson, W.R.; Sunner J.; Kebarle, P., Hydrogen Bonding of Water to Onium Ions. Hydration of Substituted Pyridinium Ions and Related Systems, J. Am. Chem. Soc., 1979, 101, 7, 1675, https://doi.org/10.1021/ja00501a005 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Larson and McMahon, 1982
Larson, J.W.; McMahon, T.B., Formation, Thermochemistry, and Relative Stabilities of Proton - Bound dimers of Oxygen n - Donor Bases from Ion Cyclotron Resonance Solvent - Exchange Equilibria Measurements, J. Am. Chem. Soc., 1982, 104, 23, 6255, https://doi.org/10.1021/ja00387a016 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Yamdagni and Kebarle, 1976
Yamdagni, R.; Kebarle, P., Gas Phase Basicities and Proton Affinities of Compounds Between Water Ammonia and Substituted Benzenes from a Continuous Ladder of Proton Transfer Equilibrium Measurements, J. Am. Chem. Soc., 1976, 98, 6, 1320, https://doi.org/10.1021/ja00422a005 . [all data]

Wolf, Staley, et al., 1977
Wolf, J.F.; Staley, R.H.; Koppel, I.; Taagepera, M.; McIver, R.T.; Beauchamp, J.L.; Taft, R.W., Gas Phase Basicities and Relative Proton Affinities of Compounds Between Water and Ammonia from Pulsed Ion Cyclotron Resonance Thermal Equilibria Measurements, J. Am. Chem. Soc., 1977, 99, 16, 5417, https://doi.org/10.1021/ja00458a032 . [all data]

Berman and Beauchamp, 1980
Berman, D.W.; Beauchamp, J.L., A Novel Bimolecular Reaction Sequence Yielding H(OH2)2+ at Low Pressures. Ion Cyclotron Resonance Studies of the Reaction of Doubly Solvated Protons, J. Phys. Chem., 1980, 84, 18, 2233, https://doi.org/10.1021/j100455a004 . [all data]

Fehsenfeld, Dotan, et al., 1978
Fehsenfeld, F.C.; Dotan, I.; Albritton, D.L.; Howard, C.J.; Ferguson, E.E., Stratospheric Positive Ion Chemistry of Formaldehyde and Methanol, J. Geophys. Res., 1978, 83, C3, 1333, https://doi.org/10.1029/JC083iC03p01333 . [all data]

Meot-Ner (Mautner), 1992
Meot-Ner (Mautner), M., Intermolecular Forces in Organic Clusters, J. Am. Chem. Soc., 1992, 114, 9, 3312, https://doi.org/10.1021/ja00035a024 . [all data]

Bohme, Mackay, et al., 1979
Bohme, D.K.; Mackay, G.I.; Tanner, S.D., An Experimental Study of the Gas - Phase Kinetics of Reactions with Hydrated H3O+ Ions (n=1 - 3) at 298 K, J. Am. Chem. Soc., 1979, 101, 14, 3724, https://doi.org/10.1021/ja00508a003 . [all data]

Cunningham, Payzant, et al., 1972
Cunningham, A.J.; Payzant, J.D.; Kebarle, P., A Kinetic Study of the Proton Hydrate H+(H2O)n Equilibria in the Gas Phase, J. Am. Chem. Soc., 1972, 94, 22, 7627, https://doi.org/10.1021/ja00777a003 . [all data]

Keesee and Castleman, 1986
Keesee, R.G.; Castleman, A.W., Jr., Thermochemical data on Ggs-phase ion-molecule association and clustering reactions, J. Phys. Chem. Ref. Data, 1986, 15, 1011. [all data]

Larson, Clair, et al., 1982
Larson, J.W.; Clair, R.L.; McMahon, T.B., Bimolecular Production of Proton Bound Dimers in the Gas Phase. A Low Pressure Ion Cyclotron Resonance Technique for Examination of Solvent Exchange Equilibria and Determination of Single Molecule Solvation Energetics, Can. J. Chem., 1982, 60, 4, 542, https://doi.org/10.1139/v82-079 . [all data]

Tanaka, Mackay, et al., 1978
Tanaka, K.; Mackay, G.I.; Bohme, D.K., Rate and Equilibrium Constant Measurements for Gas-Phase Proton-Transfer Reactions Involving H2O, H2S, HCN, and H2CO, Can. J. Chem., 1978, 56, 2, 193, https://doi.org/10.1139/v78-031 . [all data]

Amano and Warner, 1989
Amano, T.; Warner, H.E., Laboratory detection of protonated formaldehyde (H2COH/+/), Astrophys. J., 1989, 342, L99, https://doi.org/10.1086/185494 . [all data]

Mosley, Cheng, et al., 2012
Mosley, J.D.; Cheng, T.C.; McCoy, A.B.; Duncan, M.A., Infrared Spectroscopy of the Mass 31 Cation: Protonated Formaldehyde vs Methoxy, J. Phys. Chem. A, 2012, 116, 37, 9287, https://doi.org/10.1021/jp3072298 . [all data]

Dyke, Ellis, et al., 1984
Dyke, J.M.; Ellis, A.R.; Jonathan, N.; Keddar, N.; Morris, A., Observation of the CH2OH radical in the gas Ppase by vacuum ultraviolet photoelectron spectroscopy, Chem. Phys. Lett., 1984, 111, 207. [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]

Jacox, 1998
Jacox, M.E., Vibrational and electronic energy levels of polyatomic transient molecules: supplement A, J. Phys. Chem. Ref. Data, 1998, 27, 2, 115-393, https://doi.org/10.1063/1.556017 . [all data]

Chomiak, Taleb-Bendiab, et al., 1994
Chomiak, D.; Taleb-Bendiab, A.; Civis, S.; Amano, T., Millimetre-wave laboratory detection of H, Can. J. Phys., 1994, 72, 11-12, 1078, https://doi.org/10.1139/p94-140 . [all data]

Dore, Cazzoli, et al., 1995
Dore, L.; Cazzoli, G.; Civis, S.; Scappini, F., Extended measurements of the millimeter wave spectrum of H2COH+, Chem. Phys. Lett., 1995, 244, 1-2, 145, https://doi.org/10.1016/0009-2614(95)00816-M . [all data]

Dore, Cazzoli, et al., 1997
Dore, L.; Cazzoli, G.; Civis, S.; Scappini, F., Millimeter-Wave Spectra of H213COH+and D2COD+, J. Mol. Spectrosc., 1997, 183, 1, 107, https://doi.org/10.1006/jmsp.1996.7229 . [all data]


Notes

Go To: Top, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References