Conformational effects in UV absorption spectra of tetrasilanes

被引：56

作者：

Imhof, R

Teramae, H

Michl, J

机构：

[1] UNIV COLORADO, DEPT CHEM & BIOCHEM, BOULDER, CO 80309 USA

[2] NIPPON TELEGRAPH & TEL PUBL CORP, BASIC RES LABS, ATSUGI, KANAGAWA 24301, JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1997年 / 270卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(97)00405-3

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：

UV absorption of cyclic carbosilanes (SiMe2)(4)(CH2)(n), n=1-4 (1-4), and Si4Me10 (5) provides an experimental counterpart to the singlet transition energy and intensity correlation diagrams for the syn-anti conformational transformation in tetrasilane. A new third transition is found between the two previously known singlet transitions. Transition energies are nearly independent of the dihedral angle, while intensities vary widely. All trends agree with CIS/3-21G*//HF/3-21G* calculations. The Sandorfy C and ladder C models of sigma conjugation fail to describe electronically excited states of tetrasilane, since they do not consider the lateral bonds to substituents.

引用

页码：500 / 505

页数：6

共 20 条

[1] Matrix-isolation IR and UV spectra of Si3H8 and Si4H10: Isomers and conformers of oligosilanes [J].