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3H-Diazirine


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 compiled as indicated in comments:
B - John E. Bartmess
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 CH2N2+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
10.3PERobin, Brundle, et al., 1972LLK
10.18 ± 0.05EIPaulett and Ettinger, 1963RDSH

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CHN2+14.2 ± 0.1HEIPaulett and Ettinger, 1963RDSH
CH2+11.0 ± 0.1N2EIPaulett and Ettinger, 1963RDSH

De-protonation reactions

CHN2- + Hydrogen cation = 3H-Diazirine

By formula: CHN2- + H+ = CH2N2

Quantity Value Units Method Reference Comment
Deltar1681. ± 13.kJ/molG+TSKroeker and Kass, 1990gas phase; Between MeNH2, EtNH2. The expt dHf(diazirine) disagrees with numerous l calculations by -14 kcal/mol; B
Quantity Value Units Method Reference Comment
Deltar1648. ± 13.kJ/molIMRBKroeker and Kass, 1990gas phase; Between MeNH2, EtNH2. The expt dHf(diazirine) disagrees with numerous l calculations by -14 kcal/mol; B

N-diazirinide anion + Hydrogen cation = 3H-Diazirine

By formula: CH3N2- + H+ = CH2N2

Quantity Value Units Method Reference Comment
Deltar1633. ± 13.kJ/molG+TSBroadus and Kass, 1999gas phase; Betweeen D2O, fluorobenzene; B
Quantity Value Units Method Reference Comment
Deltar1598. ± 13.kJ/molIMRBBroadus and Kass, 1999gas phase; Betweeen D2O, fluorobenzene; 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.

Robin, Brundle, et al., 1972
Robin, M.B.; Brundle, C.R.; Kuebler, N.A.; Ellison, G.B.; Wiberg, K.B., Photoelectron spectra of small rings. IV. The unsaturated three-membered rings, J. Chem. Phys., 1972, 57, 1758. [all data]

Paulett and Ettinger, 1963
Paulett, G.S.; Ettinger, R., Mass spectra and appearance potentials of diazirine and diazomethane, J. Chem. Phys., 1963, 39, 825. [all data]

Kroeker and Kass, 1990
Kroeker, R.L.; Kass, S.R., Diazirinyl Anion: A Cyclic 4-pi Electron System, J. Am. Chem. Soc., 1990, 112, 24, 9024, https://doi.org/10.1021/ja00180a082 . [all data]

Broadus and Kass, 1999
Broadus, K.M.; Kass, S.R., Conjugate Base of a Cyclic Hydrazine: Formation and Energetics of N-Diaziridyl Anion, Int. J. Mass Spectrom., 1999, 185, 179, https://doi.org/10.1016/S1387-3806(98)14164-7 . [all data]


Notes

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