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

过渡金属原子和配合物激活 H-H、C-H 和 C-C 键的能量学和动力学

• 批准号: 9502843
• 负责人: H. Floyd Davis
• 金额: --
• 依托单位: Cornell University
• 依托单位国家: 美国
• 项目类别: Continuing grant
• 财政年份: 1995
• 资助国家: 美国
• 起止时间: 1995-05-01 至 1998-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9502843&HistoricalAwards=false
• 关键词: Energetics; Dynamics; Bond; Activation; Transition

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.

在这项由化学部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（Harry Floyd Davis）将研究中性过渡金属原子与复合物与小量共价分子（如甲烷）之间的物理和化学相互作用。 激光消融将用于产生足够数量的过渡金属，这些金属将与共价分子的分子束反应。激光光谱将用于激发范德华区域或电势表面的插入中间区域中所得复合物。 电子激发和振动载体激发将用于通过测量角分布和分支比例来获取激发状态和基态单分子分解产物的信息。还将进行使用过渡金属的不同初始电子构型对双分子反应的研究。 该计划的教育组成部分将涉及本科生在研究环境中研究化学反应的结构比常规本科实验室会议较低的研究环境。 过渡金属在涉及有机和无机分子的多种催化系统中很重要。 戴维斯教授将研究电子结构和能量对过渡金属与小价值分子的反应的影响。 确定这些作用对于控制反应率和理解催化的机制很重要。