ISSN:
1432-2234
Keywords:
Spectroscopic MRINDO/S
;
s-Triazine
;
s-Tetrazine
;
Pentazine
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary MRINDO/S calculation completed by singly excited configuration interaction was performed on the higher aziness-triazine,s-tetrazine and pentazine. The results enable the main characteristics of the observed electronic spectra to be interpreted. The importance of outer (Rydberg) atomic orbitals is stressed and it is found that a few singlet-singlet transitions of the higher azines lead to an excited state with considerable Rydberg character.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01120134
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