Accurate Experimental Potential Surfaces for Benzene

苯的精确实验势面

• 批准号: 9007179
• 负责人: Lionel Goodman
• 金额: $ 31.9万
• 依托单位: Rutgers University New Brunswick
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1990
• 资助国家: 美国
• 起止时间: 1990-08-01 至 1994-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9007179&HistoricalAwards=false
• 关键词: Accurate; Experimental; Potential; Surfaces; Benzene

With this grant from the Experimental Physical Chemistry Program of the Chemistry Division, Professor Goodman will continue his benchmark work on elucidating the detailed motions of the atoms in the benzene molecule, when this molecule is subjected to ultraviolet light. The thrust of this research is to generate accurate potential surfaces for the fundamental region of the ground and lowest excited singlet states of benzene. These benzene experimental force fields will provide badly needed benchmarks for calibrating theoretical harmonic and anharmonic potential surface models for both closed shell ground and open shell excited states. Two-laser experiments on isotopically labelled benzene, combined with conventional jet experiments, should allow a complete harmonic force field to be constructed for the benzene excited state.

有了化学系实验物理化学计划的这笔赠款，古德曼教授将继续他的基准工作，即阐明苯分子中原子在紫外光下的详细运动。这项研究的主要目的是为苯的基态和最低激发单重态的基区产生准确的势面。这些苯实验力场将为校准闭壳基态和开壳激发态的理论简谐和非谐势面模型提供急需的基准。对同位素标记的苯的双激光实验，结合传统的喷注实验，应该可以为苯的激发态构造一个完整的谐和力场。