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

Jeanne L.博士麦克海尔得到了 实验物理化学计划执行共振 电子给体-受体复合物的拉曼研究。 分子间相互作用的理论和实验研究 这种类型的相互作用在以下领域发挥着重要作用： 生物学、催化和光引发的化学反应。 共振拉曼光谱将用于研究 溶剂对基态和激发态结构的影响 弱结合电子给体-受体（EDA）复合物。 的 给体-受体键的振动频率和强度 将在各种溶剂中研究拉伸泛音。 与电荷转移电子相关的几何变化 转换将使用转换理论来确定， 的吸收光谱的拉曼激发轮廓 受主振动 更多的理论研究将 进行分子间势能面与 目的是了解EDA的构象柔性 复合物及其光谱学后果。

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.