Electronic spectra and photophysics of the two stable conformers of anthracene dimer: evaluation of an ab initio structure prediction

被引：35

作者：

Gonzalez, C

Lim, EC ^{[1
]}

机构：

[1] Univ Akron, Dept Chem, Akron, OH 44325 USA

[2] Natl Inst Stand & Technol, Phys & Chem Properties Div, Gaithersburg, MD 20899 USA

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 322卷 / 05期

关键词：

D O I：

10.1016/S0009-2614(00)00451-6

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：

It is shown that the spectral features and excited-state dynamics of the two Van der Waals dimers of anthracene, generated by supersonic free expansion, can be accounted for if the dimers have the crossed (D-2d) and the parallel-displaced (C-2h) structures predicted by an ab initio calculation with MP2 correlation. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

页码：382 / 388

页数：7

共 16 条

[11] Electronic spectra of jet-cooled anthracene dimer: Evidence of two isomers in the electronic ground state [J].