Short-time Optical Processes of Coherent Molecular States in Condensed Phases

芝加哥大学化学系的Jeffrey a . Cina教授得到了美国国家科学基金会理论与计算化学项目的资助，从事理论研究，解释和预测与时间分辨光激发相关的现象。正在进行的工作涉及几个不同的主题，都涉及凝聚态的物质。这项工作的一个主要主题是研究物质的连贯组织状态。一种相干涉及空间局域化状态，例如，左手和右手几何或构象是区分的；其他种类的相干涉及原子核的振动运动。本工作的另一个主要主题是研究溶剂对溶液中分子激发的影响。超短激光脉冲提供了一种强大的手段，使物质进入不寻常的状态，远离热平衡。这些状态可能具有不同寻常的化学或物质性质，与正常状态下的凝聚态截然不同。这项资助下的工作涉及理论研究，探索这些不寻常状态的性质，以及如何制备它们和如何检测它们。这项工作是在与进行相关实验研究的人员密切和直接接触的情况下进行的。通过这种方式，来自理论工作的理解在短期内被应用于实验数据的分析和解释。

Professor Jeffrey A. Cina at the Department of Chemistry of the University of Chicago is supported by a grant from the Theoretical and Computational Chemistry Program at NSF for theoretical research which interprets and predicts phenomena associated with time-resolved optical excitations. Work is being carried out on several different topics, all involving matter in the condensed phase. A major theme of this work is the study of coherently organized states of matter. One kind of coherence involves spatially localized states where, for example, left handed and right handed geometries, or conformations, are distinguished; other kinds of coherences involve the vibrational motions of the nuclei. Another major theme of the work is the study of solvent effects on the excitations of molecules in solution. Ultra-short pulses of laser light provide a powerful means to place matter into unusual states, far from thermal equilibrium. These states may have unusual chemical or material properties quite different from those of condensed matter in its more normal states. The work under this grant involves theoretical studies which explore the properties of these unusual states as well as how they may be prepared and how they may be detected. The work is being carried out in close and direct contact with people who are making related experimental studies. In this way, the understanding coming from the theoretical work is being applied, in the near term, to the analysis and interpretation of experimental data.