Molecular structure and electronic spectrum of organic colorants: Molecular orbital approach to indoaniline dyes

SUMIO TOKITA, TAKAYUKI SUZUKI, TSUTOMU SHIMOKOSHI, YOSHIYA KOGO, KOMEI KAFUKU
1991 Journal of Photopolymer Science and Technology (Fotoporima Konwakai shi)  
The applicability of semi-empirical PPP and INDOJS molecular orbital calculations for indoanilines (3) was investigated under three structural points of view : syn l anti isomerization, resonance canonical structures, and non-planarity of the molecule.
doi:10.2494/photopolymer.4.41 fatcat:2ce6zdyzpfcsbfafpa34tpbree