An experimental and theoretical study on rotational constants of vibrationally excited CH2OO

被引：24

作者：

Nakajima, Masakazu ^{[1
]}

Yue, Qiang ^{[1
]}

Li, Jun ^{[2
,3
]}

Guo, Hua ^{[3
]}

Endo, Yasuki ^{[1
]}

机构：

[1] Univ Tokyo, Grad Sch Arts & Sci, Dept Basic Sci, Meguro Ku, Tokyo 1538902, Japan

[2] Chongqing Univ, Sch Chem & Chem Engn, Chongqing 400030, Peoples R China

[3] Univ New Mexico, Dept Chem & Biol Chem, Albuquerque, NM 87131 USA

来源：

CHEMICAL PHYSICS LETTERS | 2015年 / 621卷

关键词：

CRIEGEE INTERMEDIATE CH2OO; OZONE-ALKENE REACTION; ABSORPTION-SPECTRUM; ROVIBRATIONAL ENERGIES; HOX FORMATION; MECHANISM; MODE; SPECTROSCOPY; COEFFICIENTS; KINETICS;

D O I：

10.1016/j.cplett.2014.12.039

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：

Pure rotational transitions of the simplest Criegee intermediate, CH2OO, were observed for several excited vibrational levels by Fourier-transform microwave spectroscopy combined with a double-resonance technique, and precise rotational constants of vibrationally excited CH2OO were determined. Comparing the experimentally determined vibration-rotation constants with those derived from a high-level ab initio potential energy surface, vibrational assignments were made for the observed levels. The observed intensities of the 1(01)-O-00 rotational lines suggested that the COO bending mode is significantly excited. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：129 / 133

页数：5

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