ISSN:
1432-2234
Keywords:
Key words: Spectroscopic MRINDO/S –vic-Triazine –as-Triazine –vic-Tetrazine as-Tetrazine
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract. An MRINDO/S calculation completed by singly excited configuration interaction was performed on the azines vic-triazine, as-triazine, vic-tetrazine, and as-tetrazine. The importance of outer (Rydberg) atomic orbitals is stressed and it is found that a few transitions of these azines lead to an excited state with considerable Rydberg character. Ionization potentials of the azines are also interpreted.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/s002149900090
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