Benzonitrile, 4-methoxy-

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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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.6PEModelli and Distefano, 1981LLK
8.74EICooks, Bertrand, et al., 1973LLK
9.08 ± 0.05EIBuchs, 1970RDSH
9.0 ± 0.1EIBrown, 1970RDSH
8.92PEModelli and Distefano, 1981Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C7H4NO+12.7 ± 0.1CH3EIBrown, 1970RDSH
C7H4NO+12.7 ± 0.1CH3EITait, Shannon, et al., 1962RDSH
C7H5N+12.39HCHOEICooks, Bertrand, et al., 1973LLK
C7H5N+12.3 ± 0.1CH2OEIBrown, 1970RDSH

UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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Source Poplavskii, et al., 1978
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 22247
Instrument SF-4A
Melting point 61.5
Boiling point 256.5

References

Go To: Top, Gas phase ion energetics data, UV/Visible spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Modelli and Distefano, 1981
Modelli, A.; Distefano, G., L. C. B. O.: An easy method to predict valence ionization energies. Application to substituted benzenes, Z. Naturforsch. A:, 1981, 36, 1344. [all data]

Cooks, Bertrand, et al., 1973
Cooks, R.G.; Bertrand, M.; Beynon, J.H.; Rennekamp, M.E.; Setser, D.W., Energy partitioning data as an ion structure probe. Substituted anisoles, J. Am. Chem. Soc., 1973, 95, 1732. [all data]

Buchs, 1970
Buchs, A., Etude par spectrometrie de masse de l'ionisation de benzonitriles, de phenylacetonitriles et de N,N-dimethylanilines substitues, Helv. Chim. Acta, 1970, 53, 2026. [all data]

Brown, 1970
Brown, P., Kinetic studies in mass spectrometry. VIII. Competing [M-CH3] and [M-CH2O] reactions in substituted anisoles. Approximate activation energies from ionization appearance potentials, Org. Mass Spectrom., 1970, 4, 519. [all data]

Tait, Shannon, et al., 1962
Tait, J.M.S.; Shannon, T.W.; Harrison, A.G., The structure of substituted C7 ions from benzyl derivatives at the appearance potential threshold, J. Am. Chem. Soc., 1962, 84, 4. [all data]

Poplavskii, et al., 1978
Poplavskii, V.S., et al., Zhur. Organ. Khim., 1978, 14, 121. [all data]


Notes

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