Nitrosoethane, 1,1-dimethyl-

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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: John E. Bartmess

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Individual Reactions

C4H8NO- + Hydrogen cation = Nitrosoethane, 1,1-dimethyl-

By formula: C4H8NO- + H+ = C4H9NO

Quantity Value Units Method Reference Comment
Δr385.4 ± 6.1kcal/molG+TSNoest and Nibbering, 1980gas phase; Between H2O, MeOH
Quantity Value Units Method Reference Comment
Δr379.0 ± 6.0kcal/molIMRBNoest and Nibbering, 1980gas phase; Between H2O, MeOH

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

Ionization energy determinations

IE (eV) Method Reference Comment
9.05 ± 0.05PEErnsting, Pfab, et al., 1980Vertical value; LLK
8.95PEHouk, Caramella, et al., 1977Vertical value; LLK
8.0 ± 0.1PEEgdell, Green, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H9+8.9 ± 0.1?EICarmichael, Gowenlock, et al., 1972LLK

De-protonation reactions

C4H8NO- + Hydrogen cation = Nitrosoethane, 1,1-dimethyl-

By formula: C4H8NO- + H+ = C4H9NO

Quantity Value Units Method Reference Comment
Δr385.4 ± 6.1kcal/molG+TSNoest and Nibbering, 1980gas phase; Between H2O, MeOH; B
Quantity Value Units Method Reference Comment
Δr379.0 ± 6.0kcal/molIMRBNoest and Nibbering, 1980gas phase; Between H2O, MeOH; 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.

Noest and Nibbering, 1980
Noest, A.J.; Nibbering, N.M.M., Homoconjugation vs. charge dipole stabilization interaction effects in the stabilization of carbanions in the gas phase, J. Am. Chem. Soc., 1980, 102, 6427. [all data]

Ernsting, Pfab, et al., 1980
Ernsting, N.P.; Pfab, J.; Green, J.C.; Romelt, J., Photoelectron spectra of nitrosomethane, t-nitrosobutane and some perhalogenonitrosomethanes, J. Chem. Soc. Faraday Trans. 2, 1980, 76, 844. [all data]

Houk, Caramella, et al., 1977
Houk, K.N.; Caramella, P.; Munchausen, L.L.; Chang, Y.-M.; Battaglia, A.; Sims, J.; Kaufman, D.C., Photoelectron spectra of nitrones and nitrile oxides, J. Electron Spectrosc. Relat. Phenom., 1977, 10, 441. [all data]

Egdell, Green, et al., 1975
Egdell, R.; Green, J.C.; Rao, C.N.R.; Gowenlock, B.G.; Pfab, J., He(I) photoelectron studies of C-nitroso compounds, J. Chem. Soc. Faraday Trans. 2, 1975, 988. [all data]

Carmichael, Gowenlock, et al., 1972
Carmichael, P.J.; Gowenlock, B.G.; Johnson, C.A.F., Carbon-nitrogen bond dissociation energy values in C-nitrosocompounds, Int. J. Chem. Kinet., 1972, 4, 339. [all data]


Notes

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