Theoretical Studies of Nonadiabatic Photoinitiated Processes in Complex Systems

复杂系统中非绝热光引发过程的理论研究

• 批准号: 0911474
• 负责人: Spiridoula Matsika
• 金额: $ 40.5万
• 依托单位: Temple University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-08-01 至 2012-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0911474&HistoricalAwards=false
• 关键词: Theoretical; Studies; Nonadiabatic; Photoinitiated; Processes

This award is funded under the American Recovery and Reinvestment Act of 2009.Spiridoula Matsika of Temple University is supported by an award from the Theoretical and Computational Chemistry program to develop and use theoretical models to understand photo-initiated phenomena in biologically relevant systems. In particular, she and her research group are studying the photo-initiated processes of pi-stacked dimers of nucleobases, to establish how the pi stacking changes the fluorescent properties of fluorescent analogs. The PI and coworkers are developing new local multireference configuration interaction methods that will allow efficient study of these relatively large systems. One primary emphasis is on the role of nonadiabatic phenomena, such as conical intersections, on the dynamics of biological systems.Photo-initiated processes, the subject of this work, play an important role in photosynthesis, vision, and photochemical damage and repair in DNA. These processes are facilitated by conical intersections, one primary subject of this study.

该奖项由 2009 年美国复苏和再投资法案资助。天普大学的 Spiridoula Matsika 获得了理论和计算化学项目的奖项支持，以开发和使用理论模型来理解生物相关系统中的光引发现象。特别是，她和她的研究小组正在研究核碱基 pi 堆积二聚体的光引发过程，以确定 pi 堆积如何改变荧光类似物的荧光特性。 PI 和同事正在开发新的本地多参考配置交互方法，该方法将允许对这些相对较大的系统进行有效的研究。 其中一个主要重点是非绝热现象（例如圆锥相交）对生物系统动力学的作用。光引发过程是这项工作的主题，在光合作用、视觉以及 DNA 光化学损伤和修复中发挥着重要作用。圆锥形交叉点促进了这些过程，这是本研究的主要主题之一。