Role of the intermolecular vibrations in the hydrogen transfer rate:: The 3-methylindole-NH3 complex

被引：15

作者：

David, Olivier

Dedonder-Lardeux, Claude

Jouvet, Christophe

Sobolewski, Andrzej L.

机构：

[1] Univ Paris 11, CNRS, Photophys Mol Lab, F-91405 Orsay, France

[2] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2006年 / 110卷 / 30期

关键词：

D O I：

10.1021/jp062950y

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：

The lifetimes of the 3-methylindole-NH3 complex have been measured on different vibronic levels involving intermolecular modes and decrease from 530 to 65 ps, in a mode specific manner. Geometry optimizations of the ground and excited states have been performed with ab initio methods, and as in the case of phenol and indole, a repulsive pi sigma* state lies close to the initially excited pi pi* state. From these calculations, it seems that both in-plane and out-of-plane vibrations induce a faster nonradiative decay.

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页码：9383 / 9387

页数：5

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