Structure and Dynamics of Condensed Phases in the Presence of Large Amplitude Motion

大振幅运动下凝聚相的结构和动力学

• 批准号: 8814565
• 负责人: Herbert Strauss
• 金额: $ 39.04万
• 依托单位: University of California-Berkeley
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1989
• 资助国家: 美国
• 起止时间: 1989-01-01 至 1992-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8814565&HistoricalAwards=false
• 关键词: Structure; Dynamics; Condensed; Phases; Presence

Professor Strauss is supported by a grant from the Experimental Physical Chemistry Program to study the structure and dynamics of molecules in condensed phases in the presence of large amplitude motions. The principal experimental techniques employed in this research are high resolution Fourier transform infrared spectroscopy and infrared laser diode spectroscopy. Vibrational spectroscopy, vibrational excitation methods, and theoretical analysis will be used to explore the structure and dynamics of condensed phases. Emphasis will be on chemical systems that illustrate important general methods or elucidate important intermolecular interactions. The effect of very fast reactions on observed vibrational frequencies will be studied with the intention of developing techniques for determining reaction rates directly from spectra. Infrared excitation or "holeburning" in crystals will also be used to provide information on various dynamical processes such as molecular rotation and return to equilibrium by quantum mechanical tunneling. Investigation of holeburning at high resolution will be used to determine homogeneous/inhomogeneous linewidths and the relationship between spectra, structure and strain.

施特劳斯教授得到了实验物理化学项目的资助，用于研究存在大幅运动时凝聚相分子的结构和动力学。 本研究采用的主要实验技术是高分辨率傅里叶变换红外光谱和红外激光二极管光谱。 振动光谱、振动激发方法和理论分析将用于探索凝聚相的结构和动力学。 重点将放在说明重要通用方法或阐明重要分子间相互作用的化学系统上。 将研究非常快的反应对观察到的振动频率的影响，目的是开发直接从光谱确定反应速率的技术。 晶体中的红外激发或“烧孔”也将用于提供有关各种动态过程的信息，例如分子旋转和通过量子力学隧道效应返回平衡。 高分辨率烧孔研究将用于确定均匀/非均匀线宽以及光谱、结构和应变之间的关系。