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氯甲烷ν5区域谱线形状参数以及ν2、ν5和2ν3振动带的转动常数

Methyl Chloride nu5 Region Lineshape Parameters and Rotational Constants for the nu2, nu5, and 2nu3 Vibrational Bands.

作者信息

Chackerian C, Brown LR, Lacome N, Tarrago G

机构信息

NASA Ames Research Center, Moffett Field, California, 94035

出版信息

J Mol Spectrosc. 1998 Sep;191(1):148-57. doi: 10.1006/jmsp.1998.7591.

DOI:10.1006/jmsp.1998.7591
PMID:9724591
Abstract

Fourier spectra of methyl chloride have been obtained at ambient laboratory temperature under self-broadening conditions. Five thousand two hundred and sixty rovibrational transitions of the (nu2, nu5, 2nu3)-vibrational-band triad have been assigned, and new ground and excited state rotational constants for CH335Cl and CH327Cl have been determined. The nu5 and nu2 vibrational-band intensities are determined to be, respectively, 42(1.2) and 31.7(0.9) cm-2 atm-1. Self-broadening coefficients of individual rovibrational lines are determined for the nu5 band of CH335Cl and CH337Cl at 296 K. The self-broadening coefficients peak broadly close to the maximum in the Boltzmann rotational population; no specific trends of the broadening coefficients are observed with the rotational quantum number K. With the exception of the RQ(J, 0) branch, the 1260-1650 cm-1 spectral region can be well modeled by the superposition of overlapping Voigt line profiles. To adequately model the densely packed RQ(J, 0) branch, however, we included collisional line mixing with A+ to A- in addition to A- to A- and A+ to A+ |DeltaJ| >/= 1, DeltaK = 0 collisional transitions allowed. Copyright 1998 Academic Press.

摘要

在环境实验室温度下,于自展宽条件下获得了氯甲烷的傅里叶光谱。已指定了(ν2,ν5,2ν3)振动带三重态的5260个振转跃迁,并确定了CH335Cl和CH327Cl的新基态和激发态转动常数。ν5和ν2振动带强度分别确定为42(1.2)和31.7(0.9) cm-2 atm-1。测定了296 K时CH335Cl和CH337Cl的ν5带各振转线的自展宽系数。自展宽系数在玻尔兹曼转动布居最大值附近宽泛地达到峰值;未观察到展宽系数随转动量子数K的特定趋势。除RQ(J, 0)分支外,1260 - 1650 cm-1光谱区域可以通过重叠的沃伊特线型叠加很好地模拟。然而,为了充分模拟密集堆积的RQ(J, 0)分支,除了允许|ΔJ|≥1、ΔK = 0的A-到A-和A+到A+碰撞跃迁外,我们还纳入了A+到A-的碰撞线混合。版权所有1998年学术出版社。

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