Resonance Raman Studies of Solvent Effect and Electron Donor-Acceptor Complexes

Jeanne L. McHale博士由实验物理化学项目资助，进行电子供体-受体复合物的共振拉曼研究。这类分子间相互作用的理论和实验研究在生物学、催化和光引发化学反应等领域发挥着重要作用。共振拉曼光谱将用于研究溶剂对弱结合电子供体-受体（EDA）配合物基态和激发态结构的影响。在各种溶剂中，将研究给体-受体键拉伸泛音的振动频率和强度。与电荷转移电子跃迁相关的几何变化将使用变换理论来确定吸收光谱与受体振动的拉曼激发剖面的关系。进一步的理论研究将在分子间势能面进行，目的是了解EDA配合物的构象灵活性及其光谱结果。

Dr. Jeanne L. McHale is supported by a grant from the Experimental Physical Chemistry Program to perform resonance Raman studies of electron donor-acceptor complexes. Theoretical and experimental studies of intermolecular interactions of this type play an important role in areas of biology, catalysis, and photoinitiated chemical reactions. Resonance Raman spectroscopy will be employed to investigate solvent effects on the ground and excited state structures of weakly bound electron donor-acceptor (EDA) complexes. The vibrational frequencies and intensities of donor-acceptor bond stretching overtones will be studied in a variety of solvents. Geometry changes associated with the charge-transfer electronic transition will be determined using transform theory to relate the absorption spectra to the Raman excitation profiles of acceptor vibrations. Additional theoretical studies will be performed of the intermolecular potential energy surface with the goal of understanding conformational flexibility of EDA complexes and its spectroscopic consequences.