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 物理化学实验方案结构研究 和分子在凝聚相中的动力学 大幅度的运动。 主要实验 本研究采用的技术是高分辨率的 傅里叶变换红外光谱与红外激光 二极管光谱学 振动光谱学，振动激发法， 并运用理论分析的方法来探讨这一结构 和凝聚相的动力学。 重点将放在化学 说明重要的一般方法或阐明 重要的分子间相互作用。 效果非常快 将研究对观察到的振动频率的反应 目的是开发用于确定 反应速率直接从光谱。 晶体中的红外激发或“烧孔”也将是 用于提供各种动态过程的信息， 当分子旋转并通过量子回到平衡时， 机械隧道 高温烧孔研究 分辨率将用于确定均匀/不均匀 线宽和光谱，结构和 株