Rydberg Structure and Dynamics of Highly Excited Small Molecules

普渡大学的爱德华·格兰特得到了实验物理化学计划的资助，继续他在小分子高激发态（里德伯态）中通过旋振耦合进行的状态到状态光电离和分子内弛豫动力学的实验研究。 这些实验将通过多光子共振电离和高分辨率阈值光电子能谱，特别是零电子动能-光电子能谱来完成。 实验将通过多通道量子亏损理论计算来验证，以确定这些系统中的高激发振转态和l耦合。 这些计算由PI发起，将通过与该领域专家的理论家合作进行扩展。 最初对甲酰自由基和二氧化氮的研究将继续进行，但这些研究将扩大到包括其他理论上更具挑战性的更大的多原子分子。处于激发态的小活性自由基分子是发生在介质中的许多化学和物理过程中的关键物种，如内部燃烧，等离子体处理，污染的大气和星际介质。 为了了解这些物种的分子结构和能量转移，将进行高分辨率光谱和高水平的理论计算。 这将使这些媒体的观察被解释和媒体被建模。

Edward Grant of Purdue University is supported by a grant from the Experimental Physical Chemistry Program to continue his experimental research on state-to-state photoionization and dynamics of intramolecular relaxation by rovibronic coupling in highly excited (Rydberg) states of small molecules. These experiments will be accomplished by multi-photon resonant ionization and high-resolution threshold photoelectron spectroscopy, in particular, Zero Electron Kinetic Energy-Photoelectron Spectroscopy. The experiments will be paralleled by Multi-Channel Quantum Defect Theory calculations to identify highly excited rovibrational states and l coupling in these systems. These calculations, initiated by the PI, will be extended by a collaboration with a theorist who is expert in this area. Initially studies on the formyl radical and nitrogen dioxide will be continued, but these will be expanded to include other larger polyatomic molecules which are theoretically more challenging.Small reactive radical molecules in excited states are critical species in many chemical and physical processes occurring in media such as internal combustion, plasma processing, polluted atmospheres and the interstellar medium. In order to understand the molecular structure of, and energy transfer in, these species high resolution spectroscopy and high level theoretical calculations will be made. This will enable observation of these media to be interpreted and the media to be modeled.