Microwave Spectroscopy Measurements of Structures and Electronic Properties of Transition Metal Complexes

亚利桑那大学的Stephen Kukolich得到了实验物理化学计划的资助，继续他对过渡金属络合物的研究。 目标是确定结构并测量四极耦合常数和偶极矩：（1）过渡金属二氢和二氢化物配合物;（2）烯烃-金属和环戊二烯基-金属配合物;（3）双核过渡金属配合物;（4）烯烃氧化反应的模型化合物和（5）一些有机金属自由基。 研究将在脉冲分子束中使用傅里叶变换微波光谱进行。与以前使用的X射线技术相比，它们的优势在于可以定位分子中氢原子的位置。 这些数据将有助于测试理论，这需要气相数据，而不是在溶液中获得的数据，并且对于这类化合物还没有很好的发展。这些研究将提供有关过渡金属络合物的结构和性质的详细信息。 从基本观点来看，这些配合物代表了化学的一个重要分支，并且在化学工业中作为催化剂和在生物系统中如酶和蛋白质的活性位点中具有重要的应用。

Stephen Kukolich of the University of Arizona is supported by a grant from the Experimental Physical Chemistry Program to continue his studies of transition metal complexes. The objectives are to determine structures and make measurements of quadrupole coupling constants and dipole moments for: (1) transition metal dihydrogen and dihydride complexes; (2) olefin-metal and cyclopentadienyl-metal complexes; (3) dinuclear transition metal complexes; (4) model compounds for reactions involved in olefin oxidation and possibly (5) a few organometallic radicals. The studies will be carried out in a pulsed molecular beam using Fourier transform microwave spectroscopy. They have the advantage over previously used X-ray techniques that they can locate the positions of hydrogen atoms in the molecules. The data will be useful for testing theory, which requires gas phase data rather than that obtained in solution and is not well developed for this type of compound.The studies will provide detailed information about the structures and properties of transition metal complexes. These complexes represent an important branch of chemistry from a fundamental point of view and have important applications to the chemical industry as catalysts and in biological systems such as the active sites of enzymes and proteins in living systems.