Semiempirical Calculation of the Triplet-Triplet Absorption Spectra of 2-Anthrylethylenes Undergoing Photochemical One-Way Isomerization.

T Karatsu, T Arai, H Sakuragi, K Tokumaru…

Index: Karatsu, Takashi; Arai, Tatsuo; Sakuragi, Hirochika; Tokumaru, Katsumi; Wirz, Jakob Bulletin of the Chemical Society of Japan, 1994 , vol. 67, # 3 p. 891 - 894

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Citation Number: 6

Abstract

Semiempirical PPP-SCF-SCI calculations support the assignment of the triplet–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.

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