Photodissociation Studies of Mass-Selected Solvated Cluster Ions

在这个由实验物理化学计划支持的项目中， 化学部，法勒将继续研究溶剂化 质量选择溶剂化团簇中光解选择阳离子 离子。 碱土金属和前过渡金属阳离子将被溶剂化 与不同数量的极性溶剂如NH 3或H2O反应。 的 溶剂化过程将被评估，通过确定的能量低， 电子状态和振动分析的同位素团簇 溶剂后 双色和光化学烧孔实验 建议审查处理这些广泛的集群的棘手问题， 谱 从头计算将允许比较振动 电子激发态的频率。 这项研究的目的是了解所涉及的步骤， 气相中孤立的原子离子获得溶剂的壳层 分子，如水、氨或酒精，在液相或固相中。 这些信息很重要，因为不同的溶剂具有不同的 这些溶剂壳层可以改变给定离子的亲和力， 离子的化学和物理性质。 这些研究 在理解离子分子反应中的应用， 例如，高层大气或等离子体沉积工艺期间

In this project supported by the Experimental Physical Chemistry Program of the Chemistry Division, Farrar will continue to study the solvation of selected cations by photodissociation in mass-selected solvated cluster ions. Alkaline earth and early transition-metal cations will be solvated with variable numbers of polar solvents such as NH3 or H2O. The solvation process will be assessed by determining energies of low-lying electronic states and by vibronic analysis of isotopic clusters of solvent. Two-color and photochemical hole-burning experiments are proposed to examine thornier issues dealing with these broad cluster spectra. Ab initio calculations will allow comparison of vibrational frequencies in excited electronic states. The goal of this research is to understand the steps involved when isolated atomic ions in the gas phase acquire shells of solvent molecules, such as water, ammonia, or alcohol, in liquid or solid phases. Such information is important, because different solvents have varying affinities for a given ion, and these solvent shells can alter the chemical and physical properties of the ion substantially. These studies have application in understanding ion-molecules reactions which happen in the upper atmosphere, for example, or during plasma deposition processes