利用高分辨率傅里叶变换红外光谱对DCOOH的ν(2)和2ν(5)谱带进行振转分析

Rovibrational Analysis of nu(2) and 2nu(5) Bands of DCOOH by High Resolution FTIR Spectroscopy.

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, Singapore, 259756, Singapore

出版信息

J Mol Spectrosc. 1999 Dec;198(2):387-392. doi: 10.1006/jmsp.1999.7960.

DOI:10.1006/jmsp.1999.7960

PMID:10547321

Abstract

The infrared absorption spectrum of the nu(2) band of deuterated formic acid (DCOOH) was recorded using a Bomem DA3.002 Fourier transform spectrometer in the wavenumber region 2130-2300 cm(-1) with an apodized resolution of 0.004 cm(-1). A total of 1024 transitions were assigned to this band which is hybrid type A and B, centered at 2219.6896 +/- 0.0002 cm(-1). As expected, the nu(2) band is coupled to 2nu(5) by a c-type Coriolis interaction. Both perturbed and unperturbed transitions were assigned and fitted to give seven rovibrational constants for the nu(2) = 1 state with a standard deviation of 0.00094 cm(-1) using Watson's A-reduced Hamiltonian in the I(r) representation. A c-type Coriolis interaction term between nu(2) and 2nu(5) was derived from the rovibrational analysis. The ratio of the transition moments, ||µ(b)/µ(a) ||, was found to be 1.42 +/- 0.10 for the hybrid band. Copyright 1999 Academic Press.

摘要

使用Bomem DA3.002傅里叶变换光谱仪，在波数范围2130 - 2300 cm⁻¹内，以0.004 cm⁻¹的变迹分辨率记录了氘代甲酸（DCOOH）ν(2)带的红外吸收光谱。该带属于A、B混合型，共有1024条跃迁谱线被归属到该带，其中心位于2219.6896 ± 0.0002 cm⁻¹处。正如预期的那样，ν(2)带通过c型科里奥利相互作用与2ν(5)耦合。已对受扰和未受扰跃迁进行了归属和拟合，使用I(r)表示下的沃森A简化哈密顿量，得到了ν(2)=1态的七个振转常数，标准偏差为0.00094 cm⁻¹。通过振转分析得出了ν(2)和2ν(5)之间的c型科里奥利相互作用项。对于混合型谱带，跃迁矩之比||µ(b)/µ(a) ||为1.42 ± 0.10。版权所有1999年学术出版社。