$\bar{a} {^{3}}B_{3u}-\widetilde{X} {^{1}}A_{g_{1}}$ AND $\bar{A} {^{1}}B_{3u}-\widetilde{X} {^{1}}A_{g}$ ELECTRONIC TRANSITIONS OF s-TETRAZINE

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1968

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Ohio State University

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Hochstrasser and Marzzaco1 recently identified the lowest-energy triplet-singlet absorption of crystalline dimethyltetrazine. The 0-0 band lies at 7626\AA, giving an apparent (π,n) singlet-triplet splitting of 4000cm−1. Using a path of about one meter-atmosphere of vapor, we have found 20 bands of the analogous absorption by s-tetrazine. The 0-0 band lies at 7346\AA so that the singlet-triplet splitting is in this case 4520cm−1. A striking difference in the singlet and triplet systems of tetrazine is that in the a¯X~ system the origin band is one of the weakest while in the A~X~ system the origin band is one of the strongest. Accordingly it will be of interest to discuss the vibrational structures in some detail.

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This research was supported by the National Science Foundation. 1 R. M. Hochstrasser and C. Marzzaco, J. Chem. Phys. 46, 4155 (1967).


Author Institution: Department of Chemistry, Vanderbilt University

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