Albert Sieghard, Quack Martin
Laboratorium für Physikalische Chemie, ETH Zürich, Wolfgang Pauli Str. 10, 8093 Zürich, Switzerland.
Chemphyschem. 2007 Jun 25;8(9):1271-81. doi: 10.1002/cphc.200700018.
The analysis of selected rovibrationally resolved infrared spectra of some relatively heavy and large polyatomic molecules is reviewed. A short historical summary of the development of high resolution interferometric Fourier transform infrared (FTIR) spectrometers is given and the possibilities of the currently most highly resolving FTIR spectrometer, which is commercially available in the Bruker IFS 125 series, are discussed. The computational tools necessary to analyse FTIR spectra are described briefly. As examples of rovibrational analysis the spectra of three selected molecules CHCl(2)F, CDBrClF, and pyridine (C(5)H(5)N) are discussed. The spectrum of CHCl(2)F, a fluorochlorohydrocarbon, is of interest for a better understanding of the chemistry of the Earth's atmosphere. CDBrClF is a chiral molecule and therefore the analysis of its rovibrational spectra provides the basis for carrying out further experiments towards the detection of molecular parity violation. The analysis of the pyridine FTIR spectra illustrates the potential of the new generation of FTIR spectrometers in the study of spectra and rovibrational dynamics of aromatic systems and molecules of potential biological interest.
本文综述了对一些相对较重且较大的多原子分子的选定振转分辨红外光谱的分析。给出了高分辨率干涉型傅里叶变换红外(FTIR)光谱仪发展的简短历史总结,并讨论了目前分辨率最高的FTIR光谱仪(布鲁克IFS 125系列中有商业销售)的可能性。简要描述了分析FTIR光谱所需的计算工具。作为振转分析的示例,讨论了三种选定分子CHCl(2)F、CDBrClF和吡啶(C(5)H(5)N)的光谱。氟氯烃CHCl(2)F的光谱对于更好地理解地球大气化学具有重要意义。CDBrClF是一种手性分子,因此对其振转光谱的分析为开展进一步检测分子宇称破坏的实验提供了基础。吡啶FTIR光谱的分析说明了新一代FTIR光谱仪在研究芳香体系以及具有潜在生物学意义的分子的光谱和振转动力学方面的潜力。