Elsevier

Chemical Physics Letters

Volume 163, Issues 2–3, 10 November 1989, Pages 212-216
Chemical Physics Letters

Molecular orbital computations of the internal rotational potentials in 2-, 3-, and 4-fluorostyrene. Comparison with experiment

https://doi.org/10.1016/0009-2614(89)80037-5Get rights and content

Abstract

Geometry-optimized STO-3G and 6-31G MO computations are presented for the internal rotational potentials in the monofluorostyrenes. These are compared with experimental values, particularly those from fluorescence experiments with a supersonic jet.

References (17)

  • C.W. Bock et al.

    Chem. Phys.

    (1985)
  • J.M. Hollas et al.

    J. Mol. Spectry.

    (1982)
  • T. Schaefer et al.

    Chem. Phys. Letters

    (1985)
  • J.M. Hollas et al.

    Chem. Phys. Letters

    (1989)
    J.M. Hollas et al.

    Chem. Phys. Letters

    (1989)
  • W.J. Hehre et al.
    (1986)
  • L.A. Carreira et al.

    J. Mol. Struct.

    (1977)
  • J.M. Hollas et al.

    J. Mol. Spectry.

    (1978)
  • W.M. Ralowski et al.

    J. Mol. Struct.

    (1976)
There are more references available in the full text version of this article.

Cited by (0)

View full text