Size-selective Spectroscopic Studies of the Geometries, Intermolecular Vibrations and Intermolecular Potential Energy Surfaces of Molecular Clusters

分子簇几何形状、分子间振动和分子间势能面的尺寸选择性光谱研究

• 批准号: 9418349
• 负责人: Peter Felker
• 金额: $ 39.77万
• 依托单位: University of California-Los Angeles
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-12-01 至 1997-11-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9418349&HistoricalAwards=false
• 关键词: Size; selective; Spectroscopic; Studies; Geometries

In this project in the Experimental Physical Chemistry Program in the Chemistry Division, Peter Felker of UCLA will continue his spectroscopic studies of the structures and intermolecular potential energy surfaces of large neutral molecular clusters. This work relies on the technique of rotational coherence spectroscopy (RCS) which Felker helped develop in his lab at UCLA. The new studies include the addition of mass selection and ionization-detected Raman spectroscopy, fully quantum multidimensional calculations of potential energy surface via a collaboration with Prof. Zlatko Bacic of NYU, and examining very large cluster sizes (in some cases, greater than 20 moieties). Information will be obtained on geometries, potential energy surfaces, and the vibrational dynamics of the large clusters. %%% By exposing molecules in the gas phase to short, sharp pulses of laser light at the proper frequency, Prof. Felker can obtain information about the geometric structures of a relatively small, controlled number of interacting molecules. This information is very useful for understanding how molecules behave in the initial stages of a wide variety of chemical reactions. In addition, molecular clusters also exist in nature, such as in the atmosphere as well as in combustion flames. These experiments will thus provide information relevant to atmospheric as well as combustive processes and will also permit tests of various theories of intermolecular interaction. Ultimately a more detailed understanding of chemically significant systems will emerge which is relevant to areas such as the environment or biology.

在实验物理化学项目中， 加州大学洛杉矶分校的彼得·费尔克将继续他的光谱学研究， 结构和分子间势能面的研究 大的中性分子簇。 这项工作依赖于技术， Felker帮助开发的旋转相干光谱（RCS） 他的实验室 新的研究包括增加大规模选择 和电离检测的拉曼光谱，全量子 势能面的多维计算 与纽约大学的Zlatko Bacic教授合作， 簇大小（在某些情况下，大于20个部分）。 信息 将在几何形状、势能面和 大星系团的振动动力学 通过将气相中的分子暴露在短而尖锐的激光脉冲下， 在适当的频率下，Felker教授可以获得有关 一个相对较小的，可控数量的几何结构， 相互作用的分子这些信息对于理解 分子如何在各种化学反应的初始阶段表现 反应. 此外，分子簇也存在于自然界中，如 在大气中以及在燃烧火焰中。这些实验将 从而提供与大气以及可燃气体相关的信息， 过程，也将允许测试的各种理论， 分子间相互作用 最终，更详细地了解 将出现具有化学意义的系统， 例如环境或生物学。