甲酸中ν(6)和ν(8)谱带之间科里奥利相互作用的分析。

Analysis of the Coriolis Interaction between nu(6) and nu(8) Bands of HCOOH.

作者信息

Tan TL, Goh KL, Ong PP, Teo HH

机构信息

Division of Physics, School of Science, Nanyang Technological University, National Institute of Education, 469, Bukit Timah Road, 259756, Singapore

出版信息

J Mol Spectrosc. 2000 Aug;202(2):194-206. doi: 10.1006/jmsp.2000.8138.

DOI:10.1006/jmsp.2000.8138

PMID:10877949

Abstract

The Fourier transform infrared (FTIR) spectrum of the nu(6) band of formic acid (HCOOH) has been recorded with a resolution of 0.0024 cm(-1) in the spectral range 1050-1160 cm(-1). The nu(6) band was found to be strongly perturbed by the nearby nu(8) band centered at about 1033.5 cm(-1). Using a Watson's A-reduced Hamiltonian in the I(r) representation, and with the inclusion of a-type Coriolis coupling constant, a simultaneous fit of nu(6) and nu(8) was performed. A total of 2485 infrared transitions including about 700 perturbed transitions of nu(6) and 19 transitions of nu(8) was fitted with an rms uncertainty of 0.0006 cm(-1). Accurate rovibrational constants up to sextic order for both nu(6) and nu(8) were obtained. The nu(6) band was analyzed to be a type AB hybrid with a band center at 1104.852109 +/- 0.000050 cm(-1). The band center for nu(8) was found to be 1033.4647 +/- 0.0021 cm(-1). Copyright 2000 Academic Press.

摘要

在1050 - 1160厘米⁻¹光谱范围内，以0.0024厘米⁻¹的分辨率记录了甲酸（HCOOH）ν(6)带的傅里叶变换红外（FTIR）光谱。发现ν(6)带受到位于约1033.5厘米⁻¹处附近ν(8)带的强烈扰动。使用I(r)表示中的沃森A简化哈密顿量，并包含a型科里奥利耦合常数，对ν(6)和ν(8)进行了同时拟合。总共2485个红外跃迁，包括约700个ν(6)的受扰跃迁和19个ν(8)的跃迁，拟合的均方根不确定度为0.0006厘米⁻¹。获得了ν(6)和ν(8)直至六阶的精确振转常数。分析得出ν(6)带为AB型混合带，带中心为1104.852109±0.000050厘米⁻¹。发现ν(8)的带中心为1033.4647±0.0021厘米⁻¹。版权所有2000年学术出版社。