Sharp Line Electronic Spectroscopy and Metal-Ligand Geometry

实验物理化学计划支持教授 Hoggard在一项研究中的电子光谱， 金属配合物 锐电子吸收的位置 配位金属的特征敏感地取决于 不仅是最近的配位原子的精确几何形状， 也包括从金属原子进一步除去的原子。 这项研究的实验和理论进展是 描述和解释这些影响，产生 各种复合物的结构信息， 晶体和溶液。 最终延伸到气相或 表面吸附的复合物是可能的。 最初的工作将使用各种方便的过渡， 铬（III）测定双齿牙的咬合角和扭转角 螯合物，以检查 由共轭π电子系统连接的配位原子 在螯合配体中，并精确定位键合几何形状2 在适当的配体中从金属中心除去原子。

The Experimental Physical Chemistry Program supports Professor Hoggard in an investigation of the electronic spectroscopy of metal complexes. The positions of sharp electronic absorption features in coordinated metals depend sensitively upon the exact geometry not only of the nearest coordinating atoms, but also of atoms further removed from the metal atom. Experimental and theoretical developments in this research are characterizing and interpreting these effects, yielding structural information for a variety of complexes both in crystals and solutions. Eventual extension to the gas phase or to surface-adsorbed complexes is possible. The initial work will use various convenient transitions in chromium(III) to determine bite and twist angles in bidentate chelate complexes, to examine phase coupling between coordinated atoms connected by a conjugated pi-electron system in a chelating ligand, and to pinpoint bonding geometry two atoms removed from the metal center in appropriate ligands.