Methanimine


Gas phase 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfgas69. ± 8.kJ/molIonPeerboom, Ingemann, et al., 1990Appearance potentials
Δfgas110. ± 8.kJ/molIonGrela and Colussi, 1988 
Δfgas110. ± 13.kJ/molIonDeFrees and Hehre, 1978ion cyclotron resonance

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:
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

View reactions leading to CH3N+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
Proton affinity (review)852.9kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity818.7kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
9.97PEBock and Dammel, 1987LBLHLM
9.88 ± 0.07PITarasenko, Tishenkov, et al., 1986LBLHLM
~10.0PEPeel and Willett, 1975LLK
10.7PEBock and Dammel, 1987Vertical value; LBLHLM

De-protonation reactions

CH2N- + Hydrogen cation = Methanimine

By formula: CH2N- + H+ = CH3N

Quantity Value Units Method Reference Comment
Δr1625. ± 21.kJ/molG+TSKass and DePuy, 1985gas phase; B
Quantity Value Units Method Reference Comment
Δr1594. ± 21.kJ/molIMRBKass and DePuy, 1985gas phase; B

References

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

Peerboom, Ingemann, et al., 1990
Peerboom, R.A.L.; Ingemann, S.; Nibbering, N.M.M.; Liebman, J.F., Proton affinities and heats of formation of the imines CH2=NH, CH2=NMe and PhCH=NH, J. Chem. Soc. Perkin Trans. 2, 1990, 1825-1828. [all data]

Grela and Colussi, 1988
Grela, M.A.; Colussi, A.J., Decomposition of methylamino and aminomethyl radicals. The heats of formation of methyleneimine (CH2=NH) and hydrazyl (N2H3) radical, Int. J. Chem. Kinet., 1988, 20, 713-718. [all data]

DeFrees and Hehre, 1978
DeFrees, D.J.; Hehre, W.J., Methyleneimine, J. Phys. Chem., 1978, 82, 391-393. [all data]

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]

Bock and Dammel, 1987
Bock, H.; Dammel, R., Methanimine RR"C=NR": Darstellung und photoelektronen-spektren, J. Am. Chem. Soc., 1987, 120, 1961. [all data]

Tarasenko, Tishenkov, et al., 1986
Tarasenko, N.A.; Tishenkov, A.A.; Zaikin, V.G.; Volkova, V.V.; Gusel'nikov, L.E., Adiabatic ionization energy of methylenimine, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 10, 2196. [all data]

Peel and Willett, 1975
Peel, J.B.; Willett, G.D., Photoelectron spectrum of methylenimine by spectrum stripping, J. Chem. Soc. Faraday Trans. 2, 1975, 71, 1799. [all data]

Kass and DePuy, 1985
Kass, S.R.; DePuy, C.H., Gas phase ion chemistry of azides. The generation of CH=N- and CH2=NCH2-, J. Org. Chem., 1985, 50, 2874. [all data]


Notes

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