Photodissociation Studies of Mass-Selected Solvated Cluster Ions

在这个由化学部实验物理化学项目支持的项目中，Farrar将继续在大量选择的溶剂化簇离子中通过光解作用研究选定阳离子的溶剂化。碱土和早期过渡金属阳离子会被不同数量的极性溶剂如NH3或H2O溶解。溶剂化过程将通过测定低洼电子态的能量和溶剂同位素簇的振动分析来评估。提出了双色和光化学烧孔实验来研究处理这些广谱团的棘手问题。从头计算将允许比较激发态电子的振动频率。本研究的目的是了解气相中分离的原子离子在液相或固相中获得溶剂分子（如水、氨或酒精）的壳时所涉及的步骤。这些信息很重要，因为不同的溶剂对给定的离子有不同的亲和力，这些溶剂外壳可以从本质上改变离子的化学和物理性质。这些研究应用于理解发生在高层大气中的离子分子反应，例如，或在等离子体沉积过程中

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