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Line positions and intensities in the v(12) band of ethylene near 1450 cm(-1): An experimental and theoretical study

机译:乙烯1450 cm(-1)附近v(12)带的线位置和强度:实验和理论研究

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摘要

Recently, we built a tensorial formalism adapted to the spectroscopy of X2Y4 molecules. It is based on formalisms developed in Dijon for spherical-top molecules. This approach has the advantages to allow a systematic development of rovibrational interactions and to make global analyses easier to perform. We used this tool to carry out an analysis of the v(12) band of (C2H4)-C-12 near 1450 cm(-1), both in frequencies and intensities. 1240 line positions and 871 intensities, measured in a set of spectra recorded in Brussels, with global root mean square deviations of 1.6 x 10(-4) cm(-1) and 1.88, respectively. (C) 2007 Elsevier Ltd. All rights reserved.
机译:最近,我们建立了一种适用于X2Y4分子光谱的张量形式。它基于第戎为球形顶部分子开发的形式主义。这种方法的优点是可以系统地开发振动相互作用,并使全局分析更容易进行。我们使用这个工具对1450 cm(-1)附近的(C2H4)-C-12的v(12)波段进行了频率和强度的分析。1240 个线位和 871 个强度,在布鲁塞尔记录的一组光谱中测量,全局均方根偏差分别为 1.6 x 10(-4) cm(-1) 和 1.88%。(C) 2007 爱思唯尔有限公司保留所有权利。

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