The 000 band of the S1-S0 electronic absorption system of indazole at 290 nm has been analyzed, and the results of the computer simulation of its rotational contour have shown that this band is and A B hybrid with an intensity ratio A B = 1.22. The S1-S0 electronic system is assigned as A ̃1A′(ππ*)- X ̃1A′. The same result has already been reached for benzimidazole (E. Canéet al., J. Mol. Spectrosc.150, 222-228 (1991)), and other ring-condensed aza-aromatic compounds although the relative amount of the type B and A components is different in each band. The transition moment is in the molecular plane nearly equidistant from the a- and b-inertial axes (θ = ±42°). © 1992.
Cane' E., Trombetti A., Velino B., Caminati W. (1992). Assignment of the 290-nm electronic band system of indazole [1,2-benzodiazole] as π* - π by rotational band contour analysis. JOURNAL OF MOLECULAR SPECTROSCOPY, 155(2), 307-314 [10.1016/0022-2852(92)90519-T].
Assignment of the 290-nm electronic band system of indazole [1,2-benzodiazole] as π* - π by rotational band contour analysis
Cane' E.Primo
;Trombetti A.
Secondo
;Velino B.Penultimo
;Caminati W.Ultimo
1992
Abstract
The 000 band of the S1-S0 electronic absorption system of indazole at 290 nm has been analyzed, and the results of the computer simulation of its rotational contour have shown that this band is and A B hybrid with an intensity ratio A B = 1.22. The S1-S0 electronic system is assigned as A ̃1A′(ππ*)- X ̃1A′. The same result has already been reached for benzimidazole (E. Canéet al., J. Mol. Spectrosc.150, 222-228 (1991)), and other ring-condensed aza-aromatic compounds although the relative amount of the type B and A components is different in each band. The transition moment is in the molecular plane nearly equidistant from the a- and b-inertial axes (θ = ±42°). © 1992.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
