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

在这个项目中的物理化学计划的 化学部，教授艾利森和勒罗伊将研究 基质隔离红外光谱法 离子。 根据早期进行的有希望的实验， 他们以前的赠款，这些研究人员将开发一种新的 通过激光诱导荧光和傅立叶的方法 氖中小离子的变换红外光谱 矩阵在4K。 有机和无机化合物的结构分析 与抗衡离子共沉积的有机金属阳离子将 被证明。 补充理论计算 离子结构和振动频率也将 贯彻 这项工作的目标是提供一个新的工具， 分子离子的结构表征 以探索结构/功能关系， 有机金属化学 %%% 合作的主要研究人员设计并 建造了一种独特的乐器， 完全不同类型的光谱学，其中 根据离子的质量分离不同的离子，另一个 它测量的特征吸收或发射 分子或离子发光。 这项技术应该有助于 瞬态物质分子结构的测定 以及离子-分子作用机理的阐明 这些反应对大气的许多领域都很重要， 环境和材料科学。

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.