T. Karatsu et al., SEMIEMPIRICAL CALCULATION OF THE TRIPLET-TRIPLET ABSORPTION-SPECTRA OF 2-ANTHRYLETHYLENES UNDERGOING PHOTOCHEMICAL ONE-WAY ISOMERIZATION, Bulletin of the Chemical Society of Japan, 67(3), 1994, pp. 891-894
Semiempirical PPP-SCF-SCI calculations support the assignment of the t
riplet-triplet absorption spectra of 2-anthrylethylenes to the planar
trans conformations, which act as a key intermediate in adiabatic cis-
to-trans one-way isomerization on the triplet energy surface.