Inelastic Electron Collisions with Molecules and Clusters

低能电子在许多基础和应用领域中起着关键作用。它们可以诱导与介电老化、表面工程、辐射损伤、癌症治疗和大气物理学相关的特定化学反应。一个特别重要的过程是解离电子附着（DEA），涉及分子捕获电子，随后分子键断裂。尽管对这一过程进行了几十年的实验和理论研究，但对它的理解还远远没有完成。这与涉及分子簇的DEA过程特别相关，分子簇是许多被弱力松散结合的分子。本计画计划从理论上研究气相及团簇环境中的电子-分子碰撞过程。提出的活动将推进电子与分子和团簇以及团簇环境中的分子相互作用的理论。这项研究将在将碰撞物理学与化学控制、放射生物学和大气科学联系起来的领域创造新的知识。这项研究将涉及跨学科的努力和与其他领域的科学家合作。它将在更广泛的领域培训学生，包括几个分支学科。教学内容包括低能电子在化学、生物及环境科学不同范畴的作用。本计划的重点是发展多原子分子的DEA非定域复势理论。这一理论将允许一个适当的纳入远程相互作用的影响到DEA描述的多原子分子，以前一直缺席。这些效应可能会导致特殊类型的共振，振动Feshbach共振，在DEA。它们以前在一个反应坐标的近似中描述，该项目包括将该理论推广到几个振动自由度的计划。此外，集群环境对DEA过程的影响将通过使用多重散射理论进行研究。目前几乎没有关于这些效应的实验或理论信息，尽管它们对于理解辐射对生物相关分子的损伤机制很重要。

Low-energy electrons play a critical role in a large number of fundamental and applied fields. They can induce specific chemical reactions which are relevant to dielectric aging, surface engineering, radiation damage, cancer therapy, and atmospheric physics. A particularly important process is dissociative electron attachment (DEA) involving electron capture by a molecule with the following break-up of a molecular bond. In spite of decades of experimental and theoretical studies of this process the understanding of it is far from complete. This is especially relevant to DEA processes involving molecular clusters, which are many molecules loosely bound by weak forces. The present project plans to theoretically study electron-molecule collision processes in gas phase and in cluster environments. The proposed activities will advance the theory of electron interaction with molecules and clusters, and molecules in a cluster environment. This research will create new knowledge in the areas connecting collision physics with chemical control, radiobiology and atmospheric science. The research will involve interdisciplinary efforts and collaborations with scientists from other fields. It will train students in broader areas including several subdisciplines. Examples demonstrating the role of low-energy electrons in different areas of chemistry, biology and environmental science will be incorporated in teaching.The project's major focus is on the development of the nonlocal complex potential theory of DEA for polyatomic molecules. This theory would allow a proper incorporation of long-range interaction effects into the DEA description for polyatomic molecules which has previously been absent. These effects might cause special type of resonances, vibrational Feshbach resonances, in DEA. They were previously described in the approximation of one reaction coordinate, and the project includes plans to generalize the theory to the case of several vibrational degrees of freedom. In addition, the effects of the cluster environment on the DEA processes will be investigated by the use of multiple-scattering theory. Almost no information on these effects, experimental or theoretical, is presently available, although they are important for the understanding of the mechanism of radiation damage to biologically-relevant molecules.