H13COOH的ν6带高分辨率傅里叶变换红外光谱分析

Analysis of High-Resolution FTIR Spectrum of the nu6 Band of H13COOH.

作者信息

Ong PP, Goh KL, Teo HH

机构信息

Department of Physics, Faculty of Science, National University of Singapore, Lower Kent Ridge Road, 119260, Singapore

出版信息

J Mol Spectrosc. 1999 Apr;194(2):203-205. doi: 10.1006/jmsp.1998.7776.

DOI:10.1006/jmsp.1998.7776

PMID:10079157

Abstract

The FTIR spectrum of the nu6 band of H13COOH has been collected at a resolution of 0.004 cm-1 in the frequency range of 1030-1160 cm-1. The nu6 band was analyzed to be an A-B hybrid band and perturbed by the nearby nu8 band through a-, and b-Coriolis coupling terms. Using a Watson's A-reduced Hamiltonian in the Ir representation, with the inclusion of a- and b-Coriolis resonances, a total of 3004 IR transitions of nu6 have been analyzed to provide rovibrational constants for the v6 = 1 state with a standard deviation of 0.00047 cm-1. The nu6 band was found to be centered at 1095.40365 +/- 0.00003 cm-1. Copyright 1999 Academic Press.

摘要

已在1030 - 1160 cm-1频率范围内以0.004 cm-1的分辨率收集了H13COOH的ν6带的傅里叶变换红外光谱。ν6带被分析为A - B混合带，并通过a - 和b - 科里奥利耦合项受到附近ν8带的扰动。在Ir表示中使用沃森A简化哈密顿量，并包含a - 和b - 科里奥利共振，总共分析了3004条ν6的红外跃迁，以提供v6 = 1态的振转常数，标准偏差为0.00047 cm-1。发现ν6带的中心位于1095.40365 +/- 0.00003 cm-1。版权所有1999年学术出版社。