Structure Determination of Small Transition Metal- Containing Ions by Matrix Isolation/Fourier Transform Infrared Spectroscopy

在化学学部物理化学项目的这个项目中，Allison教授和Leroi教授将研究大量选择离子的基质分离红外光谱。这些研究人员将在之前的资助下进行的早期有希望的实验的基础上，开发一种新的方法，通过激光诱导荧光和傅里叶变换红外光谱对4 K氖基质中的小阳离子进行分析。结构分析的有机和有机金属阳离子，共沉积与反离子，将被证明。离子结构和振动频率的补充理论计算也将进行。这项工作的目的是为分子离子的结构表征以及探索有机金属化学的结构/功能关系提供新的工具。合作的主要研究人员设计并建造了一种独特的仪器，它结合了两种完全不同类型的光谱学，一种根据质量分离不同的离子，另一种测量分子或离子对光的特性吸收或发射。这项技术将有助于确定瞬态物质的分子结构，并有助于阐明离子-分子反应的机制，这对大气、环境和材料科学的许多领域都很重要。

In this project in the Physical Chemistry Program of the Chemistry Division, Professors Allison and Leroi will study the matrix isolation infrared spectroscopy of mass-selected ions. Based on early promising experiments carried out under their previous grant, these researchers will develop a new methodology via laser-induced fluorescence and Fourier transform infrared spectroscopy of small cations in neon matrices at 4 K. Structural analysis of both organic and organometallic cations, co-deposited with counter ions, will be demonstrated. Complementary theoretical calculations of ionic structures and vibrational frequencies will also be carried out. The goals of this work are to provide a new tool for the structural characterization of molecular ions as well as to probe the structure/function relationships governing organometallic chemistry. %%% The collaborating principal investigators have designed and constructed a unique instrument which is a marriage of two completely different types of spectroscopy, one which separates different ions according to their masses, the other which measures the characteristic absorption or emission of light by molecules or ions. This technique should aid in the determination of the molecular structures of transient species as well as in the elucidation of mechanisms of ion-molecule reactions which are important to many areas of atmospheric, environmental, and materials sciences.