2-Propenenitrile, 2-chloro-


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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
B - John E. Bartmess

Electron affinity determinations

EA (eV) Method Reference Comment
4.499982LPESIchihashi, Hirokawa, et al., 1995Probably a complex [CH2CCN..Cl]-; B

Ionization energy determinations

IE (eV) Method Reference Comment
10.58 ± 0.05PEHouk and Munchausen, 1976Vertical value; LLK

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.

Ichihashi, Hirokawa, et al., 1995
Ichihashi, M.; Hirokawa, J.; Tsukuda, T.; Kondow, T.; Dessent, C.E.H.; Bailey, C.G.; Scarton, M.G., Characterization of the 2-chloroacrylonitrile negative ion using photoelectron and photofragmentation spectroscopies, J. Phys. Chem., 1995, 99, 6, 1655, https://doi.org/10.1021/j100006a006 . [all data]

Houk and Munchausen, 1976
Houk, K.N.; Munchausen, L.L., Ionization potentials, electron affinities, reactivities of cyanoalkenes related electron-deficient alkenes. A frontier molecular orbital treatment of cyanoalkene reactivities in cycloaddition, electrophilic, nucleophilic, and radical reactions., J. Am. Chem. Soc., 1976, 98, 937. [all data]


Notes

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