The phosphorescence spectra of triphenylene and truxene: A combined experimental and theoretical investigation of the vibronic structure

被引:2
作者
Baunsgaard, D
El Balsami, M
Frederiksen, J
Harrit, N
Negri, F
Orlandi, G
Wilbrandt, R [1 ]
机构
[1] Riso Natl Lab, Condensed Matter Phys & Chem Dept, FYS 313, DK-4000 Roskilde, Denmark
[2] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy
[3] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen, Denmark
关键词
phosphorescence spectra; simulations; semi-empirical calculations; spin-orbit interactions; vibronic interactions; truxene; triphenylene;
D O I
10.1155/1999/25873
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
Tie phosphorescence spectra of triphenylene and truxene, recorded in glassy solvents at 77 K, are presented. Their vibronic structure is interpreted on the basis of intensities computed with the help of quantum-chemical calculations. The agreement between ol,sen;ed and simulated intensities is very satisfactory and contributes to improve and complete the assignment of ground state frequencies of the two disk-like molecules.
引用
收藏
页码:349 / 351
页数:3
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