Home Symbol which looks like a small house Up Solid circle with an upward pointer in it

Formaldehyde

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.


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

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to CH2O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.88 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)712.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity683.3kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Deltaf(+) ion941.8kJ/molN/AN/A 
Quantity Value Units Method Reference Comment
DeltafH(+) ion,0K946.0kJ/molN/AN/A 

Proton affinity at 298K

Proton affinity (kJ/mol) Reference Comment
711.5 ± 2.1Bouchoux and Leblanc, 2000T = 300K; MM

Gas basicity at 298K

Gas basicity (review) (kJ/mol) Reference Comment
681.5 ± 0.7Bouchoux and Leblanc, 2000T = 300K; MM

Ionization energy determinations

IE (eV) Method Reference Comment
10.88CIOhno, Okamura, et al., 1995LL
10.8887 ± 0.0030PENiu, Shirley, et al., 1993LL
10.86PITraeger, 1985LBLHLM
10.88PEKimura, Katsumata, et al., 1981LLK
10.9PEVon Niessen, Bieri, et al., 1980LLK
10.885 ± 0.005PEHernandez, Masclet, et al., 1977LLK
10.874 ± 0.002SDrury-Lessard and Moule, 1977LLK
10.868 ± 0.005PIGuyon, Chupka, et al., 1976LLK
10.88 ± 0.02PIWarneck, 1971LLK
10.87 ± 0.01PIMentall, Gentieu, et al., 1971LLK
10.88 ± 0.02PIMatthews and Warneck, 1969RDSH
10.884PEBaker, Baker, et al., 1968RDSH
10.86 ± 0.02EIKanomata, 1961RDSH
10.90 ± 0.03PIVilesov, 1960RDSH
10.87 ± 0.01PIWatanabe, 1957RDSH
10.88 ± 0.01SPrice, 1935RDSH
10.1PERao, 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+11.97HPITraeger, 1985LBLHLM
CHO+13.94 ± 0.40HEIWankenne, Caprace, et al., 1984LBLHLM
CHO+11.92 ± 0.01HPIGuyon, Chupka, et al., 1976LLK
CHO+11.89 ± 0.03HPIWarneck, 1971LLK
CHO+11.95 ± 0.06HPIMatthews and Warneck, 1969RDSH
CO+14.10 ± 0.08H2PIGuyon, Chupka, et al., 1976LLK
CO+18.7 ± 0.2?EIBrand and Reed, 1957RDSH
H+17.41 ± 0.07CHOPIWarneck, 1971LLK
H2+15.42 ± 0.06COPIWarneck, 1971LLK

De-protonation reactions

CHO- + Hydrogen cation = Formaldehyde

By formula: CHO- + H+ = CH2O

Quantity Value Units Method Reference Comment
Deltar1650.7 ± 0.96kJ/molD-EAMurray, Miller, et al., 1986gas phase; B
Quantity Value Units Method Reference Comment
Deltar1617.7 ± 1.7kJ/molH-TSMurray, Miller, et al., 1986gas phase; B
Deltar1648. ± 19.kJ/molIMRBKarpas and Klein, 1975gas phase; B

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]

Bouchoux and Leblanc, 2000
Bouchoux, G.; Leblanc, D., Gas-phase basicity of formaldehyde by the thermokinetic method, European J. Mass Spectrom., 2000, 6, 443. [all data]

Ohno, Okamura, et al., 1995
Ohno, K.; Okamura, K.; Yamakado, H.; Hoshino, S.; Takami, T.; Yamauchi, M., Penning ionization of HCHO, CH2CH2, and CH2CHCHO by collision with He*(2 3S) metastable atoms, J. Phys. Chem., 1995, 99, 14247. [all data]

Niu, Shirley, et al., 1993
Niu, B.; Shirley, D.A.; Bai, Y., High resolution photoelectron spectroscopy and femtosecond intramolecular dynamics of H2CO+ and D2CO+, J. Chem. Phys., 1993, 98, 4377. [all data]

Traeger, 1985
Traeger, J.C., Heat of formation for the formyl cation by photoionization mass spectrometry, Int. J. Mass Spectrom. Ion Processes, 1985, 66, 271. [all data]

Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S., Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]

Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L., 30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O), J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]

Hernandez, Masclet, et al., 1977
Hernandez, R.; Masclet, P.; Mouvier, G., Spectroscopie de photoelectrons d'aldehydes et de cetones aliphatiques, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 333. [all data]

Drury-Lessard and Moule, 1977
Drury-Lessard, C.R.; Moule, D.C., The higher Rydberg states of formaldehyde, Chem. Phys. Lett., 1977, 47, 300. [all data]

Guyon, Chupka, et al., 1976
Guyon, P.M.; Chupka, W.A.; Berkowitz, J., Photoionization mass spectrometric study of formaldehyde H2CO, HDCO, and D2CO, J. Chem. Phys., 1976, 65, 1419. [all data]

Warneck, 1971
Warneck, P., Photoionisation von methanol und formaldehyd, Z. Naturforsch. A:, 1971, 26, 2047. [all data]

Mentall, Gentieu, et al., 1971
Mentall, J.E.; Gentieu, E.P.; Krauss, M.; Neumann, D., Photoionization and absorption spectrum of formaldehyde in the vacuum ultraviolet, J. Chem. Phys., 1971, 55, 5471. [all data]

Matthews and Warneck, 1969
Matthews, C.S.; Warneck, P., Heats of formation of CHO+ and C3H3+ by photoionization, J. Chem. Phys. 5, 1969, 1, 854. [all data]

Baker, Baker, et al., 1968
Baker, A.D.; Baker, C.; Brundle, C.R.; Turner, D.W., The electronic structures of methane, ethane, ethylene and formaldehyde studied by high-resolution molecular photoelectron spectroscopy, Intern. J. Mass Spectrom. Ion Phys., 1968, 1, 285. [all data]

Kanomata, 1961
Kanomata, I., Mass-spectrometric study on ionization and dissociation of formaldehyde, acetaldehyde, acetone and ethyl methyl ketone by electron impact, Bull. Chem. Soc. Japan, 1961, 34, 1864. [all data]

Vilesov, 1960
Vilesov, F.I., The photoionization of vapors of compounds whose molecules contain carbonyl groups, Dokl. Phys. Chem., 1960, 132, 521, In original 1332. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Price, 1935
Price, W.C., The far ultraviolet absorption spectra of formaldehyde and the alkyl derivatives of H, O and H2S, J. Chem. Phys., 1935, 3, 256. [all data]

Rao, 1975
Rao, C.N.R., Lone-pair ionization bands of chromophores in the photoelectron spectra of organic molecules, Indian J. Chem., 1975, 13, 950. [all data]

Wankenne, Caprace, et al., 1984
Wankenne, H.; Caprace, G.; Momigny, J., Unimolecular decay of metastable ions in formaldehyde, Int. J. Mass Spectrom. Ion Processes, 1984, 57, 149. [all data]

Brand and Reed, 1957
Brand, J.C.D.; Reed, R.I., The electronic spectrum of formaldehyde. Part II. Mechanisms of dissociation of formaldehyde and the formaldehyde molecular ion, J. Chem. Soc., 1957, 2386. [all data]

Murray, Miller, et al., 1986
Murray, K.K.; Miller, T.M.; Leopold, D.G.; Lineberger, W.C., Laser photoelectron spectroscopy of the Formylf anion, J. Chem. Phys., 1986, 84, 2520. [all data]

Karpas and Klein, 1975
Karpas, Z.; Klein, F.S., Negative ion-molecule reactions in a mixture of ammonia-formaldehyde - an ICR mass spectrometry study, Int. J. Mass Spectrom. Ion Phys., 1975, 18, 65. [all data]


Notes

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