抄録
On the stereoisomers of bilitriene with no ionic structure in their π-systems, their wavelengths and oscillator strengths of absorption are calculated by the ZDO approximation of the LCAO–ASMO–SCF–CI theory of π-electrons. The interaction of the π-systems with a point-dipole is also investigated using the stationary perturbation theory for degenerate states.
It is thus shown that a stereoisomer of bilitriene with no ionic structure in its π-system can explain the observed absorption spectrum of Pr, and that an interaction between such stereoisomer and a point-dipole is further necessary to reproduce the observed spectrum of Pfr. The photoisomerization of a terminal pyrrole ring is also concluded to be probable for the origin of Pr–Pfr conversion.
