Theoretical Studies of the Photophysics of Mononuclear Copper(I) Complexes

单核铜(I)配合物光物理的理论研究

• 批准号: 0091380
• 负责人: Charles Sherrill
• 金额: $ 4万
• 依托单位: Georgia Tech Research Corporation
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2000
• 资助国家: 美国
• 起止时间: 2000-08-01 至 2001-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0091380&HistoricalAwards=false
• 关键词: Theoretical; Studies; Photophysics; Mononuclear; Copper

This starter grant is awarded by the Chemistry Division to Georgia Tech in support of the research of Charles D. Sherrill. Ab initio electronic structure methods will be used to provide a more detailed and quantitative understanding of the photophysics of heteroaromatic complexes of Cu(I) which have potential roles in energy conversion applications and as analytic probes. Geometrical relaxation and electronic distribution in the excited state will be elucidated.

这个启动补助金是由化学部授予格鲁吉亚理工学院，以支持查尔斯D。谢里尔 从头算电子结构方法将被用来提供一个更详细的和定量的理解的杂芳族配合物的Cu（I），在能量转换应用和分析探针的潜在作用的电子物理。几何弛豫和电子分布在激发态将得到阐明。