SEMIEMPIRICAL CALCULATION OF THE TRIPLET-TRIPLET ABSORPTION-SPECTRA OF 2-ANTHRYLETHYLENES UNDERGOING PHOTOCHEMICAL ONE-WAY ISOMERIZATION

Authors
KARATSU T ARAI T SAKURAGI H TOKUMARU K WIRZ J
Citation
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
Citations number
24
Categorie Soggetti
Chemistry
Journal title
Bulletin of the Chemical Society of Japan → ACNP
ISSN journal
00092673
Volume
67
Issue
3
Year of publication
1994
Pages
891 - 894
Database
ISI
SICI code
0009-2673(1994)67:3<891:SCOTTA>2.0.ZU;2-P
Abstract
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.