Rademacher, Paul; Kowski, Klaus; Mueller, Annerose; Bohlmann, Grit:

Photoelectron spectra and electronic structures of some naphtho[1,2-d]thiazoles.

In: Journal of Molecular Structure (J.Mol.Struct.), Jg. 296 (1993) ; Nr. 1-2, S. 115-125
ISSN: 0022-2860
Zeitschriftenaufsatz / Fach: Chemie
Abstract:
The He(I) photoelectron spectra of thiazole, benzo[d]thiazole and the naphtho[1,2-d]thiazoles I (R = H, o-Me, m-Me, o-NO2, m-NO2, p-NO2, o-NH2, m-NH2) and II (R1 = H, o-Me, m-Me) are reported. Based on semi-empirical SCF MO calcns., the ionization potentials have been assigned to MOs. The electronic structures are discussed according to the MIM approach. In particular, the effect of substituents on the parent systems 2-phenylnaphtho[1,2-d]thiazole and 2-styrylnaphtho[1,2-d]thiazole are investigated.