Spectroscopy and Dynamics of Ions

在化学部实验物理化学计划资助的这个项目中，莱恩伯格将进行负离子光电子光谱、时间分辨光解离光谱和时间分辨光电子光谱的研究。要研究的体系包括双自由基和三自由基(如1，3，5-脱氢苯阴离子)物种；复杂的双自由基和簇生自由基物种；以及用于过渡态光谱和时间分辨光谱研究的阴离子络合物。一种负离子-中性-正离子(NePo)技术将被开发来研究络合物沿反应坐标的结构演变。正在进行的对大小选定的阴离子团簇中的能量流动和笼化动力学的研究将继续进行，扩展到包括不对称生色团、三原子生色团和混合溶剂，以便对它们的动力学提供深刻的新见解。团簇离子的时间分辨动力学研究将从双原子发色团扩展到三原子物种。这项工作将包括关于光激发可以刺激化学反应的前活性络合物的工作。这里的重点是光激发，它导致团簇络合物中显著的电荷重新分布，使人们能够直接看到溶剂重组过程。这项研究涉及反应化学的基本问题。其目标是对化学中间体和溶剂化离子的结构和反应过程获得新的见解。这项研究将与内部和外部合作者以及博士后研究助理和研究生一起进行。博士后和学生在物理化学的前沿领域之一获得宝贵的经验，为进一步学习或在工业、学术界或政府实验室工作做准备。开展了一项积极的外联计划，以招募下一代科学家，并将化学的兴奋带给高中生和大学生，作为对受过科学教育的公民的发展的贡献。

In this project funded by the Experimental Physical Chemistry Program of the Chemistry Division, Lineberger will conduct research in negative ion photoelectron spectroscopy, time resolved photodissociation spectroscopy, and time resolved photoelectron spectroscopy. Systems to be studied include biradical and triradical (e.g., 1,3,5-dehydrobenzene anion) species; complex biradical and clustered radical species; and anion complexes for the investigations of transition state spectroscopies and time resolved spectroscopy. A Negative Ion-Neutral-Positive Ion (NeNePo) technique will be developed to investigate the evolving structure of complexes along a reaction coordinate. Ongoing studies of energy flow and caging dynamics in size-selected anionic clusters will be continued, with extensions to include asymmetric chromophores, triatomic chromophores, and mixed solvents, in order to provide deep new insights into their dynamics. Studies of time resolved dynamics in cluster ions will be extended from diatomic chromophores to triatomic species. This work will include work on prereactive complexes where photoexcitation can stimulate chemical reaction. Here the emphasis will be on photoexcitation that results in significant charge redistribution in the cluster complex, affording a direct look at solvent reorganization processes.This research deals with fundamental problems of reaction chemistry. The goal is to obtain new insights into the structure and reactive processes of chemical intermediates and solvated ions. The research will be conducted with internal and external collaborators as well as with postdoctoral research associates and graduate students. The postdocs and students gain valuable experience in one of the forefront areas of physical chemistry in preparation for advanced studies or employment in industry, academia, or government laboratories. An active outreach program is conducted for the recruitment of the next generation of scientists and to bring the excitement of chemistry to high school and college students as a contribution to the development of a scientifically educated citizenry.