State-Resolved Photodissociation Dynamics of Small Free Radicals: Structure, Energetics, and Photochemical Reactivity

小自由基的状态分辨光解离动力学：结构、能量学和光化学反应性

• 批准号: 0111635
• 负责人: Jingsong Zhang
• 金额: $ 32.3万
• 依托单位: University of California-Riverside
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-08-01 至 2004-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0111635&HistoricalAwards=false
• 关键词: State; Resolved; Photodissociation; Dynamics; Small

Dr. Jingsong Zhang of the University of California Riverside is funded for his research on state-resolved photodissociation dynamics of small free radicals, structure, energetics, and photochemical reactivity by the Physical Chemistry Program of the Chemistry Division. Fundamentally new insigts and quantitative understanding of photochemical reactivity of small prototypical free radicals will be generated experimentally uisng laser excitation, laser probing, and time of flight mass spectroscopy. Laser spectroscopy and state-resolved photodissociation dynamics will be used to fully characterize prototypical reactive intermediates and small alkyl, unsaturated aliphatic, alkoxy, and aromatic radicals, as well as the HOCO radical. These systems will also be examined at a high level of theory (electronic and dynamic) with little or no approximation. Detailed mechanisms involving dissociation and nuclear rearrangement will be generated. Open-shell electronic states, structures and multiple potential energy surfaces of free radicals and their influences on photodissociation and unimolecular reactions will be deduced. Competitive dissociation pathways and decomposition mechanims of free radicals and product energy disposal will be mapped. Free-radical electronic states, thermodynamics, and energetics will be tabulated.The energetics and dynamics of small free radicals are important areas of physical chemistry and have practical importance in combustion and atmospheric chemistries. The experimental and theoretical analyses by Dr. Zhang will provide detailed advances in our understanding of important carbon-based radicals and the hydrogen extraction chemistry of these radicals. In addition, important teaching and training will be provided students at one of our nation's most culturally diverse universities. Multi-disciplinary approaches, for example, connections between fundamental molecular-level knowledge and practical atmospheric and combustion chemistry, as well as those between modern techniques and scientific advances, will be stressed.

加利福尼亚大学河滨大学的Jingsong Zhang博士因其在化学分部的物理化学计划的小自由基，结构，能量和光化学反应性的研究研究中提供了资金。 从根本上讲，将在实验上产生对小型原型自由基的光化学反应性的新知识以及对光化学反应性的定量理解，并在实验中产生激光激发，激光探测和飞行质谱时间的时间。 激光光谱和状态分辨的光解离动力学将用于完全表征原型的反应性中间体和小烷基，不饱和脂肪族，烷基和芳族自由基以及HOCO自由基。 这些系统还将在很少或没有近似值的高理论（电子和动态）上进行检查。 将产生涉及解离和核重排的详细机制。 自由基的开放壳电子状态，结构和多个势能表面及其对光解离的影响和非分子反应的影响。 将映射自由基和产品能量处置的竞争解离途径和分解机制。 将列出自由基电子状态，热力学和能量学。小自由基的能量和动力学是物理化学的重要领域，在燃烧和大气化学方面具有实际重要性。 张博士的实验和理论分析将在我们对重要的碳基自由基和这些自由基的氢提取化学的理解中提供详细的进步。 此外，将为我们国家最多样化的大学之一提供重要的教学和培训。 例如，将强调多学科方法，例如，基本分子水平知识与实用大气和燃烧化学之间的联系以及现代技术与科学进步之间的联系。