HCCN radical anion


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: John E. Bartmess

Quantity Value Units Method Reference Comment
Δfgas69.4 ± 5.0kcal/molR-EANimlos, Davico, et al., 2002 
Δfgas81. ± 10.kcal/molEIAEHacaloglu, Suzer, et al., 1988From ClCH2CN, AP= 1.8 eV, assuming HCl as neutral product
Δfgas<100.80kcal/molIMRBDawson and Jennings, 1976O- + CH3CN ->.
Δfgas73.8 ± 4.6kcal/molEIAETsuda, Yokohata, et al., 1971From MeCN. G3MP2B3 calculations indicate an EA of ca. 2.0 eV.

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.

Nimlos, Davico, et al., 2002
Nimlos, M.R.; Davico, G.; Geise, C.M.; Wenthold, P.G.; Lineberger, W.C.; Blanksby, S.J.; Hadad, C.M.; Petersso, Photoelectron spectroscopy of HCCN- and HCNC- reveals the quasilinear triplet carbenes, HCCN and HCNC, J. Chem. Phys., 2002, 117, 9, 4323-4339, https://doi.org/10.1063/1.1496473 . [all data]

Hacaloglu, Suzer, et al., 1988
Hacaloglu, J.; Suzer, S.; Oster, T.; Illenberger, E., Negative Ion Formation in Fluoroacetonitrile and Chloroacetonitrile following Low Energy Electron Impact, Chem. Phys. Lett., 1988, 153, 2-3, 268, https://doi.org/10.1016/0009-2614(88)85224-2 . [all data]

Dawson and Jennings, 1976
Dawson, J.H.J.; Jennings, K.R., Production of gas phase radical anions by reaction of O-. Ions with organic substrates, J. Chem. Soc. Faraday Trans. 2, 1976, 72, 700. [all data]

Tsuda, Yokohata, et al., 1971
Tsuda, S.; Yokohata, A.; Umaba, T., Measurement of negative ions formed by electron impact. VIII. Ionization efficiency curves of negative ions from methyl and ethyl cyanides, Bull. Chem. Soc. Jpn., 1971, 44, 1486. [all data]


Notes

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