EFFECT OF ELECTRONIC EXCITATION ON THE GEOMETRIC STRUCTURE OF S-TETRAZINE
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Date
1970
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Ohio State University
Abstract
The validity of an earlier rotational $analysis^{1}$ of the visible absorption spectrum of tetrazine has been substantiated by means of detailed band contour analysis. In addition, the change of geometric structure found in the earlier $work^{1}$ has been refined by determination of the changes of eight independent moments of inertia of four isotopic molecules. On electronic excitation the N-N bond lengths are reduced by 0.17 ${\AA}$ and the separation of the carbon atoms increases by 0.16 \AA. These very large changes are not reflected in the vibrational structure of the $transition.^{2}$ The apparent failure of the Franck-Condon Principle will be discussed briefly. This work was supported by the National Science Foundation. $^{1}$A. J. Merer and K. K. Iyes, Proc,. Rov. Soc. 302A, 271 (1968). $^{2}$L. A. Franks, Ph.D. Thesis, Vanderbilt University, 1968.
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Author Institution: Department of Chemistry, State University of New York