Butanedinitrile

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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
Δfgas50.11 ± 0.21kcal/molCcrRapport, Westrum, et al., 1971 

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
B - John E. Bartmess

View reactions leading to C4H4N2+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Reference Comment
0.108 ± 0.010Desfrancois, Bouteiller, et al., 2004Dipole bound anion. gauche conformer; B
0.0200 ± 0.0020Desfrancois, Bouteiller, et al., 2004Dipole bound anion. Anti conformer; B

Ionization energy determinations

IE (eV) Method Reference Comment
12.1 ± 0.25EIChess, Lapp, et al., 1982LBLHLM

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.

Rapport, Westrum, et al., 1971
Rapport, N.J.; Westrum, E.F., Jr.; Andrews, J.T.S., Enthalpies of formation for globular molecules. III. Succinonitrile and triethylenediamine, J. Am. Chem. Soc., 1971, 93, 4363-4365. [all data]

Desfrancois, Bouteiller, et al., 2004
Desfrancois, C.; Bouteiller, Y.; Schermann, J.P.; Radisic, D.; Stokes, S.T.; Bowen, K.H.; Hammer, N.I.; Compto, Long-range electron binding to quadrupolar molecules, Phys. Rev. Lett., 2004, 92, 8, 840-850, https://doi.org/10.1103/PhysRevLett.92.083003 . [all data]

Chess, Lapp, et al., 1982
Chess, E.K.; Lapp, R.L.; Gross, M.L., The question of tautomerism of alkylnitrile and isonitrile radical cations, Org. Mass Spectrom., 1982, 17, 475. [all data]


Notes

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