Effects of bending excitation on the reaction of chlorine atoms with methane

被引：49

作者：

Bechtel, HA

Camden, JP

Brown, DJA

Martin, MR

Zare, RN

Vodopyanov, K

机构：

[1] Stanford Univ, Dept Chem, Stanford, CA 94305 USA

[2] Stanford Univ, Ginzton Lab, Stanford, CA 94305 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2005年 / 44卷 / 16期

关键词：

gas-phase reactions; kinetics; molecular dynamics; reaction mechanisms; vibrational spectroscopy;

D O I：

10.1002/anie.200462837

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Equation Presented) Bent up energy: Contrary to intuitive expectations, excitation of the low-frequency CH4(v4=1) bending motion enhances the cross section for reaction with Cl atoms by a factor of two or more. This enhancement, which is constant over the collision energy range 0.12 eV to 0.26 eV, implies that shearing motion, in addition to stretching motion, can facilitate C-H bond cleavage in this direct abstraction reaction (see scheme; green Cl, purple C, gray H). © 2005 Wiley-VCH Verlag GmbH &. Co. KGaA.

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收藏

页码：2382 / 2385

页数：4

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