A generalization of concepts pertinent to correlation rules for chemical reactions. Symmetry classification of the vibronic states of a rearranging molecule

  • Wallace R
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Abstract

Group theoretical methods which have been developed for nonrigid molecules are applied to the butadiene-cyclobutene reaction. A more regirous and more compact description of this rearrangement reaction than existed hitherto is obtained. All arrangements of the nuclei are characterized by a single group, electronic and torsional eigenfunctions belong to representations of this group, and the location of the reaction coordinate is a result rather than a presupposition of the theory. © 1976.

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Authors

  • R. Wallace

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