Molecular Structure and Vibrational Potential Energy Surfaces in Ground and Excited Electronic States

基态和激发电子态的分子结构和振动势能面

• 批准号: 8807544
• 负责人: Jaan Laane
• 金额: $ 44.88万
• 依托单位: Texas A&M Research Foundation
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-04-15 至 1993-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=8807544&HistoricalAwards=false
• 关键词: Molecular; Structure; Vibrational; Potential; Energy

This research, part of the Experimental Physical Chemistry Program, uses the techniques of infrared, Raman, and fluorescence spectroscopy to obtain energy levels and potential energy surfaces for cyclic and bicyclic molecules. Other areas of study include intermolecular interactions in liquids and vibrational energy levels of metal clusters. These studies will elucidate chemical bonding and intramolecular forces, both in the ground and excited states of the systems studied. Far infrared, Raman and Fluorescence spectroscopy will be used to study the energy levels of cyclic, four, five and six membered rings, bicyclic species and cyclohexene-like molecules. These data will be interpreted to yield potential energy surfaces for these species. Raman difference spectroscopy will be used to obtain small frequency shifts in isotopic mixtures of liquids in order to understand intermolecular interactions. Infrared and Raman matrix isolation spectra will be obtained for prototypical metal clusters in order to determine the vibrational force fields for these molecules.

这项研究是实验物理化学计划的一部分，使用红外、拉曼和荧光光谱技术来获得环状和双环分子的能级和势能面。其他研究领域包括液体中的分子间相互作用和金属团簇的振动能级。这些研究将阐明所研究的系统在基态和激发态下的化学键和分子内力。远红外、拉曼和荧光光谱将用于研究环、四元、五元和六元环、双环物种和环己烯类分子的能级。这些数据将被解释为这些物种的势能面。拉曼差分光谱将用于获得液体同位素混合物中的小频移，以了解分子间的相互作用。为了确定这些分子的振动力场，将获得原型金属团簇的红外和拉曼矩阵隔离光谱。