Sharp Line Electronic Spectroscopy and Metal-Ligand Geometry

实验物理化学项目支持霍加德教授研究金属络合物的电子光谱。配位金属中尖锐的电子吸收特征的位置不仅取决于最接近的配位原子的确切几何形状，而且还取决于离金属原子更远的原子的确切几何形状。这项研究的实验和理论发展正在表征和解释这些效应，为晶体和溶液中的各种络合物提供结构信息。最终延伸到气相或表面吸附的络合物是可能的。最初的工作将利用铬(III)的各种方便的跃迁来确定双齿配合物中的咬合角和扭转角，检查配位原子之间的相耦合，并在适当的配体中精确定位从金属中心移开两个原子的成键几何结构。

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.