Photodissociation dynamics of n-butyl nitrite at 266 nm:: Internal state distributions of nascent NO fragments

被引:9
|
作者
Yue, Xian-Fang [1 ]
Sun, Ju-Long [1 ]
Zhou, Can-Hua [1 ]
Cheng, Shi-Bo [1 ]
Yin, Hong-Ming [1 ]
Han, Ke-Li [1 ]
机构
[1] Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
基金
中国国家自然科学基金;
关键词
D O I
10.1016/j.cplett.2007.12.025
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
Measurements of the nascent NO fragments from the photodissociation of gaseous n-butyl nitrite at 266 nm were performed using the one-photon excited laser induced fluorescence technique. The rotational state distributions of the photofragment NO are found to be well characterized by a Gaussian distribution, which indicates that the photolysis process in the S, state is a direct and fast dissociation. The measured relative population of NO v '' = 0:123 is 0.65:0.19:0.11:0.05, respectively. Preferential populations of the NO Pi(+) A-doublet state and F-1((2)Pi(1/2)) spin-orbit state are observed. The TD-DFT calculations of n-butyl nitrite are in good agreement with the experimental results. (c) 2007 Elsevier B.V. All rights reserved.
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页码:14 / 19
页数:6
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