Molecular Spectroscopy of Small Gas Phase Polyatomic Molecules

在化学部实验物理化学计划的这个RUI项目中，佳奇将结合经典和现代技术，研究硒甲醛(CH2Se)和硫代甲酰氟(HFCS)等小分子多原子的气相吸收光谱。与这些分子所经历的特定类型的角动量相适应的旋转哈密顿量的理论将会得到发展。特别是，使用该哈密顿量进行频带轮廓分析的计算机程序将被扩充以用于微型计算机上。这样的程序将对该领域的其他光谱学家有用。贾奇和他的学生将在学年期间在自己的机构进行研究，并将在夏季继续在Clouthier(肯塔基大学)和Moule(安大略布罗克大学)的实验室工作。在这项研究项目中，贾奇教授将使用常规光谱学和激光方法的混合方法来获得有关小分子的数据，这些小分子代表与甲醛相关的化学上重要的基团。这两种互补的方法为这些分子产生了确定良好的光谱常数。这些光谱分析的结果将会引起实验和理论化学家以及天体物理学家的兴趣。

In this RUI project in the Experimental Physical Chemistry Program of the Chemistry Division, Judge will study the gas phase absorption spectra of small polyatomics, such as selenoformaldehyde (CH2Se) and thioformyl fluoride (HFCS), by a combination of classical and modern techniques. The theory of a rotational Hamiltonian suited to the specific type of angular momenta experienced by these molecules will be developed. In particular, a computer program for band-contour analysis using this Hamiltonian will be augmented for use on a microcomputer. Such a program will be of use to other spectroscopists in the field. Judge and his students will do research at their own institution during the academic year and will continue to work in the summers in the labs of Clouthier (University of Kentucky) and Moule (Brock University, Ontario). %%% In this research project Prof. Judge will use a mixture of conventional spectroscopy and laser methods to derive data about small molecules which are representative of chemically important groups related to formaldehyde. These two complementary methods yield well-determined spectroscopic constants for these molecules. The results of these spectroscopic analyses will be of interest to both experimental and theoretical chemists as well as to astrophysicists.