Energetics and Dynamics of H-H,C-H, and C-C Bond Activation by Transition Metal Atoms and Complexes

在这项由化学系实验物理化学计划资助的教师早期职业发展奖中，康奈尔大学的哈里·弗洛伊德·戴维斯将研究中性过渡金属原子和络合物与甲烷等共价小分子之间的物理和化学相互作用。激光烧蚀将被用来产生足够数量的过渡金属，这些过渡金属将与共价分子的分子束发生反应。激光光谱仪将被用来在势面的范德华区域或插入中间区激发生成的络合物。电子激发和振动泛音激发将通过测量角分布和支化比来获得激发态和基态单分子分解产物的信息。还将研究使用过渡金属不同初始电子构型的双分子反应。该计划的教育部分将包括本科生在研究环境中学习基础水平的化学反应，研究环境不如常规的本科生实验室课程。过渡金属在包括有机和无机分子在内的各种催化体系中都是重要的。戴维斯教授将研究过渡金属原子与共价小分子反应中电子结构和能量的影响。对这些影响的测定对于控制反应活性和了解催化机理是很重要的。

In this Faculty Early Career Development Award funded by the Experimental Physical Chemistry Program in the Chemistry Division, Harry Floyd Davis of Cornell University will study the physical and chemical interactions between neutral transition metal atoms and complexes and small covalent molecules such as methane. Laser ablation will be used to produce sufficient quantities of transition metals which will react with a molecular beam of the covalent molecule. Laser spectroscopies will be used to excite the resulting complex in either the van der Waals region or the insertion intermediate region of the potential surface. Electronic excitation and vibrational overtone excitation will be used to obtain information on excited state and ground state unimolecular decomposition products by measuring angular distributions and branching ratios. Studies of bimolecular reactions using different initial electronic configurations of the transition metal will also be undertaken. The educational component of the program will involve undergraduates in studying chemical reactions at the fundamental level in a research environment less structured than regular undergraduate laboratory sessions. Transition metals are important in a wide variety of catalytic systems involving organic and inorganic molecules. Professor Davis will study the effects of electronic structure and energy in reactions of transition metal atoms with small covalent molecules. A determination of these effects is important in controlling reactivities and understanding the mechanisms involved in catalysis.