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Cyanomethyl radical


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:
LL - Sharon G. Lias and Joel F. Liebman
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess

View reactions leading to C2H2N+ (ion structure unspecified)

Electron affinity determinations

EA (eV) Method Reference Comment
1.530 ± 0.010LPESGoebbert, Velarde, et al., 2010B
1.543 ± 0.014LPESMoran, Ellis, et al., 1987B
1.59 ± 0.13D-EABartmess, Scott, et al., 1979value altered from reference due to change in acidity scale; B
1.5600 ± 0.0060LPDMarks, Wetzel, et al., 1986B
1.507 ± 0.018LPDZimmerman and Brauman, 1977B
>1.60 ± 0.20EIAETsuda, Yokohata, et al., 1971From MeCN. G3MP2B3 calculations indicate an EA of ca. 1.5 eV; B

Ionization energy determinations

IE (eV) Method Reference Comment
9.9 ± 0.1DERHolmes, Lossing, et al., 1993LL
10.0DERLias, Bartmess, et al., 1988LL
10.9 ± 0.1EIPottie and Lossing, 1961RDSH
10.3 ± 0.02EIHolmes, Lossing, et al., 1993Vertical value; LL

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.

Goebbert, Velarde, et al., 2010
Goebbert, D.J.; Velarde, L.; Khuseynov, D.; Sanov, A., C-H Bond Dissociation Energy of Malononitrile, J. Phys. Chem. Lett., 2010, 1, 4, 792-795, https://doi.org/10.1021/jz900379t . [all data]

Moran, Ellis, et al., 1987
Moran, S.; Ellis, H.B., Jr.; DeFrees, D.J.; McLean, A.D.; Ellison, G.B., Carbanion spectroscopy: CH2CN-, J. Am. Chem. Soc., 1987, 109, 5996. [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

Marks, Wetzel, et al., 1986
Marks, J.; Wetzel, D.M.; Comita, P.B.; Brauman, J.I., A dipole supported state in cyanomethyl anion, the conjugate base of acetonitrile. Rotational band assignments in the electron photodetachment spectrum of -CH2CN, J. Chem. Phys., 1986, 84, 5284. [all data]

Zimmerman and Brauman, 1977
Zimmerman, A.H.; Brauman, J.I., Electron photodetachment from negative ions of C2v symmetry. Electron affinities of allyl and cyanomethyl radicals, J. Am. Chem. Soc., 1977, 99, 3565. [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]

Holmes, Lossing, et al., 1993
Holmes, J.L.; Lossing, F.P.; Mayer, P.M., The effects of methyl substitution on the structure and thermochemistry of the cyanomethyl radical and cation, Chem. Phys. Lett., 1993, 212, 134. [all data]

Lias, Bartmess, et al., 1988
Lias, S.G.; Bartmess, J.E.; Liebman, J.F.; Holmes, J.L.; Levin, R.D.; Mallard, W.G., Gas-phase ion and neutral thermochemistry, J. Phys. Chem. Ref. Data, Suppl. 1, 1988, 17, 1-861. [all data]

Pottie and Lossing, 1961
Pottie, R.F.; Lossing, F.P., Free radicals by mass spectrometry. XXV. Ionization potentials of cyanoalkyl radicals, J. Am. Chem. Soc., 1961, 83, 4737. [all data]


Notes

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