CAREER: Structure and Dynamics of Negative Ions via Photoelectron Imaging Spectroscopy

在这个由化学部实验物理化学项目资助的项目中，萨诺夫将把飞秒光谱与光电子成像结合起来，监测化学反应过程中分子轨道的演化。最初要研究的系统包括分离的和水合的含硫分子阴离子和簇阴离子。选择它们是因为它们的实际重要性以及作为新方法开发的原型。将研究光解离和单分子分解、圆锥形交叉处的动力学、微观溶剂化、波包演化和离子簇中的双分子反应。 这项研究的结果将立即应用于负离子和溶液的结构和动力学建模。许多重要的化学过程都涉及离子反应，并且反应活性受到与环境相互作用的强烈影响。 在本研究中，簇离子被用作模型微解决方案，用于研究与生物和环境化学相关的基本过程。结果将深入了解分子间相互作用如何影响电子和化学键的行为。光电子成像实验将纳入本科生物理化学课程，作为为学生提供实践研究经验的一种方式。 将开发一种基于互联网的快速发布学生研究成果的机制。学生将接受研究技术培训，为进一步学习和进入科学/技术队伍做好准备。

In this project funded by the Experimental Physical Chemistry Program of the Chemistry Division, Sanov will combine femtosecond spectroscopy with photoelectron imaging to monitor the evolution of molecular orbitals in the course of chemical reactions. The initial systems to be studied include isolated and hydrated sulfur-containing molecular anions, and cluster anions. These are chosen for their practical importance and for serving as prototypes for the development of the new methodology. Photodissociation and unimolecular decomposition, dynamics at conical intersections, microscopic solvation, wave packet evolution, and bimolecular reactions in ionic clusters will be investigated. The results of this research will find immediate application in modeling the structure and dynamics of negative ions and solutions. Many important chemical processes involve ionic reactions, and the reactivity is affected strongly by interactions with the environment. In this research cluster ions are used as model micro-solutions for the studies of elementary processes relevant to biological and environmental chemistry. The results will provide insight into how the intermolecular interactions affect the behavior of electrons and chemical bonding. Photoelectron imaging experiments will be incorporated in the undergraduate Physical Chemistry program as a way of providing the students with hands-on research experience. A fast-track Internet-based mechanism for publishing the results of student research will be developed. Students will be trained in research techniques in preparation for advanced studies and for entry into the scientific/technical workforce.