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.

在这个由实验资助的教师早期职业发展奖 物理化学计划在化学部，哈利弗洛伊德戴维斯 康奈尔大学的科学家将研究物理和化学相互作用 中性过渡金属原子和配合物与小分子共价键之间 比如甲烷。 激光烧蚀将用于生产 足够量的过渡金属将与 共价分子的分子束。激光光谱学将是 用于激发在货车德瓦耳斯区域中产生的复合物 或潜在表面的插入中间区域。 电子激发和振动泛音激发将用于 获得单分子激发态和基态的信息 通过测量角分布和分支的分解产物 比率。不同初始条件下双分子反应的研究 过渡金属的电子构型也将 进行。 该计划的教育部分将涉及 本科生在学习化学反应的基础水平， 研究环境不如普通本科生那么有条理 实验室会议 过渡金属在多种催化体系中是重要的 包括有机和无机分子。 戴维斯教授将研究 电子结构和能量对过渡反应的影响 金属原子与小共价分子。 确定这些 在控制反应性和理解 参与催化的机制。