Optical and Microwave-Molecular Beam Studies of Transient Chemical Compounds

瞬态化合物的光学和微波分子束研究

• 批准号: 9022073
• 负责人: Timothy Steimle
• 金额: $ 21.77万
• 依托单位: Arizona State University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1991
• 资助国家: 美国
• 起止时间: 1991-02-01 至 1994-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9022073&HistoricalAwards=false
• 关键词: Optical; Microwave; Molecular; Beam; Studies

In this project in the Experimental Physical Chemistry Program of the Chemistry Division, laser- and microwave-based molecular beam spectroscopic techniques will be used (1) to obtain rotational constants, hyperfine constants, and permanent electric dipole moments of transition metal clusters of Sc, Ag, and Pt and their hydrides and carbides; (2) to study the predissociation of CH; and (3) to study the vibronic problem in MgOH by measuring the proton magnetic hyperfine constants. The first study provides tests for ab initio calculations, while the second is a way of examining the nature of two states which become mixed in an avoided crossing. Since the states differ in their electronic character, the Stark shifts provide some information which can be used to deduce the mixing set of levels. In the third problem the observed constants can provide information about the potential energy surface shape. %%% The goal of this research is to simplify optical spectra in order to study the dynamics and structure of very short-lived (transient) gas phase species. The chemical bonding in some very fundamental chemical species containing transition metals will be investigated. An understanding of such bonding is important in surface science and inorganic chemistry, and has implications for catalysis.

在化学分裂实验物理化学计划中，将使用激光和基于微波的分子束光谱技术（1）获得旋转常数，超精细常数以及SC，AG和PT及其疏水物及其液压和碳水化合物的旋转常数，超精细常数和永久性电偶极矩； （2）研究CH的预测； （3）通过测量质子磁性超精细常数来研究MGOH中的振动问题。 第一项研究提供了从头算计算的测试，而第二项研究是检查在避免过境中混合的两个状态的性质的一种方法。 由于各州的电子特征有所不同，因此Stark Shifts提供了一些可用于推断混合水平的信息。 在第三个问题中，观察到的常数可以提供有关势能表面形状的信息。 %% %%这项研究的目的是简化光谱，以研究非常短的（瞬态）气相物种的动力学和结构。 将研究一些含有过渡金属的一些非常基本化学物质的化学键。 对这种键合的理解在表面科学和无机化学中很重要，并且对催化具有影响。