Dynamics of Electronically Excited States: Models for Chemical Reactivity

电子激发态动力学：化学反应模型

• 批准号: 9987048
• 负责人: David Pratt
• 金额: $ 50.84万
• 依托单位: University of Pittsburgh
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2000
• 资助国家: 美国
• 起止时间: 2000-05-01 至 2003-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9987048&HistoricalAwards=false
• 关键词: Dynamics; Electronically; Excited; States; Models

Professor David Pratt of the University of Pittsburgh is supported by the Experimental Physical Chemistry program to perform high resolution electronic spectroscopy on molecules and solvated molecules in molecular beams. The high resolution spectroscopy provides structural details that reveal fundamental information about low barrier intramolecular hydrogen bonds, chiral identification and solvent reorganization in the gas phase. Some of the systems proposed in this study include benzene-water and the benzene dimer, weakly bound complexes of enantiomers, and twisted internal charge transfer molecules. The methods include supersonic expansion, continuous wave molecular beams, frequency-doubled tunable single frequency lasers, spatially selective fluorescence detection and high speed data acquisition. Unparalleled resolution is obtained approaching 1 MHz in the ultraviolet.High resolution spectroscopy can provide the "final word" on debates that arise from low-resolution spectroscopy experiments, and thus serve as benchmark measurements for the identification of the structures some gas phase species and complexes. The bonding of molecular complexes can provide insight on how molecules recognize each other, and can improve the design, for example, of separation media for chiral purification of drugs. Electronic spectroscopy is a mature field, however, Pratt's type of work is only performed by several groups in the world. Pratt continues to build collaborative ties to research groups at smaller universities in the US, industrial and government labs, and at universities abroad.

匹兹堡大学的大卫普拉特教授得到实验物理化学计划的支持，对分子束中的分子和溶剂化分子进行高分辨率电子光谱学研究。 高分辨率光谱提供了结构细节，揭示了低势垒分子内氢键，手性鉴定和溶剂重组的气相中的基本信息。 在这项研究中提出的一些系统包括苯-水和苯二聚体，弱结合的对映体复合物，和扭曲的内部电荷转移分子。 这些方法包括超声膨胀、连续波分子束、倍频可调谐单频激光、空间选择性荧光检测和高速数据采集。 高分辨光谱可以为低分辨光谱实验中出现的争论提供“最终结论”，从而作为一些气相物质和复合物结构鉴定的基准测量。 分子复合物的键合可以提供关于分子如何相互识别的见解，并且可以改进例如用于药物手性纯化的分离介质的设计。 电子光谱学是一个成熟的领域，然而，普拉特的工作类型在世界上只有几个小组完成。 普拉特继续与美国小型大学、工业和政府实验室以及国外大学的研究小组建立合作关系。