The 000 band of the 278-nm electronic band system of benzimidazole has been rotationally analyzed by computer simulation of its rotational contour. It has been shown to be an A B hybrid with an intensity ratio B A = 0.11. The S1-S0 electronic system is assigned as A ̃1A′(ππ*)- X ̃1A′. Since the same result has already been reached for other ring condensed aza-aromatic compounds, we conclude that the number and location of nitrogen atoms in these molecules do not change the nature of the S1-S0 transition. © 1991.
Assignment of the 278-nm electronic band system of benzimidazole [1,3-benzodiazole] as π* - π by rotational band contour analysis
Cane' E.Primo
;Trombetti A.
Secondo
;Velino B.Penultimo
;Caminati W.Ultimo
1991
Abstract
The 000 band of the 278-nm electronic band system of benzimidazole has been rotationally analyzed by computer simulation of its rotational contour. It has been shown to be an A B hybrid with an intensity ratio B A = 0.11. The S1-S0 electronic system is assigned as A ̃1A′(ππ*)- X ̃1A′. Since the same result has already been reached for other ring condensed aza-aromatic compounds, we conclude that the number and location of nitrogen atoms in these molecules do not change the nature of the S1-S0 transition. © 1991.File in questo prodotto:
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