High resolution electronic spectra of anisole and anisole-water in the gas phase:: Hydrogen bond switching in the S1 state

被引：37

作者：

Ribblett, JW ^{[1
]}

Sinclair, WE ^{[1
]}

Borst, DR ^{[1
]}

Yi, JT ^{[1
]}

Pratt, DW ^{[1
]}

机构：

[1] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2006年 / 110卷 / 04期

关键词：

D O I：

10.1021/jp052832v

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：

Rotationally resolved S-1 <- S-0 electronic spectra of anisole and its hydrogen bonded complex containing one water molecule have been obtained. The results provide evidence for an "in-plane" complex in which the water molecule is attached via two hydrogen bonds to the anisole molecule, a donor O-H --- O(CH3) bond and an acceptor H-O --- H(ring) bond. Analysis of the subbands that appear in the spectrum of the complex suggests that hydrogen bond "switching" occurs when the complex absorbs light. The former O-H --- O(CH3) bond is stronger in the ground (S-0) state, whereas the latter H-O --- H(ring) bond is stronger in the excited (SI) state. Dynamical consequences of this phenomenon are discussed.

引用

页码：1478 / 1483

页数：6

共 26 条

[1] A study on the anisole-water complex by molecular beam-electronic spectroscopy and molecular mechanics calculations [J].