Experimental and Theoretical Studies of Vibrational Optical Activity

Timothy Keiderling博士获得了实验物理化学计划的资助，继续研究振动光学活性（VOA）在确定具有手性中心的分子化学结构中的应用。该研究作为生物学上重要的多肽的结构工具具有重要的潜在应用价值。Keiderling博士将继续他在这一活跃研究领域的开创性工作，重点是使用振动圆二色性（VCD）研究理论上可处理的小分子，目标是将光谱和结构相关联。本文还将对以往关于磁振动圆二色性（MVCD）的工作进行总结，进一步阐明振动耦合在VCD中的作用。最后，拉曼圆强度差（RCID）光谱领域的仪器改进将使以前获得VCD数据的几个小分子系统的系统经验研究成为可能。

Dr. Timothy Keiderling is supported by a grant from The Experimental Physical Chemistry Program to continue his research in the application of vibrational optical activity (VOA) to the determination of chemical structures of molecules with chiral centers. This research has important potential applications as a structural tool for biologically important polypeptides. Dr. Keiderling will continue his pioneering work in this active field of research with an emphasis on using vibrational circular dichroism (VCD) studies of small theoretically tractable molecules with a goal of correlating spectra and structure. Intense effort will also be made to generalize previous work on magnetic vibrational circular dichroism (MVCD) to further clarify the role of vibronic coupling in VCD. Finally, instrumental improvements in the area of Raman circular intensity differential (RCID) spectroscopy will enable systematic empirical studies of several small molecule systems for which VCD data have previously been obtained.