Experimental and Theoretical Studies of Vibrational Optical Activity

Timothy Keiderling博士得到了实验物理化学计划的资助，继续他的研究，将振动光学活性(VOA)应用于确定具有手性中心的分子的化学结构。这项研究作为一种具有重要生物学意义的多肽的结构工具具有重要的潜在应用。凯德林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谱(VCD)研究理论上容易处理的小分子，目标是将光谱和结构关联起来。还将努力推广以前关于磁振动圆二向色性(MVCD)的工作，以进一步阐明振动耦合在VCD中的作用。最后，在拉曼循环强度差(RCID)光谱领域的仪器改进将使以前已经获得VCD数据的几个小分子系统能够进行系统的经验研究。

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.