Electronic and molecular structures of α,ω-diphenylpolyynes in the lowest excited triplet states

被引：15

作者：

Nagano, Y ^{[1
]}

Ikoma, T ^{[1
]}

Akiyama, K ^{[1
]}

Tero-Kubota, S ^{[1
]}

机构：

[1] Tohoku Univ, Inst Chem React Sci, Aoba Ku, Sendai, Miyagi 98018577, Japan

来源：

CHEMICAL PHYSICS LETTERS | 1999年 / 303卷 / 1-2期

关键词：

D O I：

10.1016/S0009-2614(99)00189-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Unusually large \D\ values of zero-field splitting parameters were observed for 1,6-diphenylhexatriyne (\D\ = 0.396 cm(-1)) and 1,8-diphenyloctatetrayne (\D\ = 0.533 cm(-1)) by using time-resolved EPR (TREPR) spectroscopy. The lowest excited triplet (T-1) states of these diphenylpolyynes were assigned to B-3(1u)((3)pi(x)pi(x)(*)) in character from the degree of the polarization of phosphorescence. It has been concluded that the present diphenylpolyynes have a linear planar structure in the T-1 states, although the TREPR and phosphorescence spectra indicate interactions between the T-1((3)pi(x)pi(x)(*)) and T-n((3)pi(x)pi(y)(*)) states through spin-orbit and vibronic interactions. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：201 / 208

页数：8

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