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Formamide, N,N-dimethyl-

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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
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
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 C3H7NO+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)9.13eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)887.5kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity856.6kJ/molN/AHunter and Lias, 1998HL

Electron affinity determinations

EA (eV) Reference Comment
0.01362Desfrancois, Periquet, et al., 1999B

Ionization energy determinations

IE (eV) Method Reference Comment
9.45 ± 0.05EIBaldwin, Loudon, et al., 1977LLK
9.14PEBrundle, Turner, et al., 1969RDSH
9.12 ± 0.02PIWatanabe, Nakayama, et al., 1962RDSH
9.14PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
9.25PEHenriksen, Isaksson, et al., 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHO+14.50?EILoudon and Webb, 1977LLK
CHO+14.3 ± 0.1?EIGowenlock, Jones, et al., 1961RDSH
C2H6N+11.60?EILoudon and Webb, 1977LLK
C2H6N+11.6 ± 0.1?EIGowenlock, Jones, et al., 1961RDSH
C3H6NO+11.35?EILoudon and Webb, 1977LLK

De-protonation reactions

C3H6NO- + Hydrogen cation = Formamide, N,N-dimethyl-

By formula: C3H6NO- + H+ = C3H7NO

Quantity Value Units Method Reference Comment
Deltar1670. ± 17.kJ/molG+TSDePuy, Grabowski, et al., 1985gas phase; B
Quantity Value Units Method Reference Comment
Deltar1640. ± 17.kJ/molIMRBDePuy, Grabowski, et al., 1985gas 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]

Desfrancois, Periquet, et al., 1999
Desfrancois, C.; Periquet, V.; Carles, S.; Schermann, J.P.; Smith, D.M.A.; Adamowicz, L., Experimental and ab initio theoretical studies of electron binding to formamide, N-methylformamide, and N,N-dimethylformamide., J. Chem. Phys., 1999, 110, 9, 4309-4314, https://doi.org/10.1063/1.478353 . [all data]

Baldwin, Loudon, et al., 1977
Baldwin, M.A.; Loudon, A.G.; Webb, K.S.; Cardnell, P.C., Charge location and fragmentation under electron impact. V-The ionization potentials of (methylated) phosphoramides, guanidines, formamides, acetamides, ureas and thioureas, Org. Mass Spectrom., 1977, 12, 279. [all data]

Brundle, Turner, et al., 1969
Brundle, C.R.; Turner, D.W.; Robin, M.B.; Basch, H., Photoelectron spectroscopy of simple amides and carboxylic acids, Chem. Phys. Lett., 1969, 3, 292. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]

Bieri, Asbrink, et al., 1982
Bieri, G.; Asbrink, L.; Von Niessen, W., 30.4-nm He(II) photoelectron spectra of organic molecules, J. Electron Spectrosc. Relat. Phenom., 1982, 27, 129. [all data]

Henriksen, Isaksson, et al., 1981
Henriksen, L.; Isaksson, R.; Liljefors, T.; Sandstrom, J., Ultraviolet absorption and photoelectron spectra of some cyclic and open-chain mono- and dithiooxamides, Acta Chem. Scand., Ser. B, 1981, 35, 489. [all data]

Loudon and Webb, 1977
Loudon, A.G.; Webb, K.S., The nature of the [C2H6N]+ and [CH4N]+ ions formed by electron impact on methylated formamides, acetamides, ureas, thioureas and hexamethylphosphoramide, Org. Mass Spectrom., 1977, 12, 283. [all data]

Gowenlock, Jones, et al., 1961
Gowenlock, B.G.; Jones, P.P.; Majer, J.R., Bond dissociation energies in some molecules containing alkyl substituted CH3, NH2, and OH, J. Chem. Soc. Faraday Trans., 1961, 57, 23. [all data]

DePuy, Grabowski, et al., 1985
DePuy, C.H.; Grabowski, J.J.; Bierbaum, V.M.; Ingemann, S.; Nibbering, N.M.M., Gas-phase reactions of anions with methyl formate and N,N-dimethylformamide, J. Am. Chem. Soc., 1985, 107, 1093. [all data]


Notes

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