Molecular Spectroscopy

在这个实验物理化学项目中，哈佛大学的William Klemperer将研究弱结合分子络合物的光谱。这项研究的目的是考察分子相互作用的结构和动力学方面，并对分子间作用力有一个定量的了解。微波和毫米波相干辐射将被用来确定基态和低能振动态的超精细结构和电偶极矩。更高的振动态将用激光诱导荧光和振动泛音光谱来研究。对光解过程中振动激发态物种的荧光进行分析，以确定光解过程中的振动-振动转移以及光碎片的量子态分布。从头计算将被用来确定与实验数据相一致的势能面。分子的结构和它们之间的引力在一定程度上是它们的反应性的原因。这项研究将提供关于这些相互作用的性质和分子结构对化学键的影响的详细信息。

In this project in the Experimental Physical Chemistry Program, William Klemperer of Harvard University will study the spectroscopy of weakly bound molecular complexes. The goal of this research is to examine both the structural and dynamical aspects of molecular interactions and obtain a quantitative understanding of the intermolecular forces. Microwave and millimeter coherent radiation will be used to determine hyperfine structure and electric dipole moments of the ground and low energy vibrational states. Higher vibrational states will be studied using laser induced fluorescence and vibrational overtone spectroscopy. The fluorescence of vibrationally excited species undergoing photodissociation will be analyzed to determine vibration-vibration transfer during the photodissociation process and the distribution of quantum states of the photofragments. Ab initio calculations will be used to determine potential energy surfaces which are consistent with the experimental data. The structures of molecules and the attractive forces between them are, in part, responsible for their reactivity. This research will provide detailed information on the nature of these interactions and the effect of molecular structure on chemical bonding.