Synthesis and Study of Some Theoretically Interesting Molecules

9314865波登本研究的重点是研究锥化烯烃的物理和化学性质。对高度锥化的烯烃的自由基阴离子的气相测量将提供单重态-三重态能量谱和氢化热的值。将分别对应变烯烃、卡宾、有机反应的势面、氟取代基效应、自由基、双自由基、取代基和杂原子取代对开壳分子的影响进行单独的计算研究，并确定哪些计算方法最适合于对不同类型的开壳体系进行计算。有了这项更新奖，合成有机计划正在支持华盛顿大学化学系的韦斯顿·T·博登博士的研究。博登教授将把他的工作重点放在高度应变的含碳分子的实验和计算研究上。他的工作为碳的成键提供了一个可能的极限。***

9314865 Borden The focus of this research is the investigation of the physical and chemical properties of pyramidalized alkenes. Gas-phase measurements on the radical anions of the most highly pyramidalized alkenes will provide values for singlet-triplet energy spearations and heats of hydrogenation. Separate computational studies will be conducted on strained olefins, carbenes, potential surfaces for organic reactions, fluorine substituent effects, radicals, diradicals, effects of substituents and heteroatom substitution on open-shell molecules, and determining which computational methodologies are most appropriate for performing calculations on different types of open-shell systems. With this Renewal award, the Synthetic Organic Program is supporting the research of Dr. Weston T. Borden of the Department of Chemistry at the University of Washington. Professor Borden will focus his work on the experimental and computational studies of highly strained carbon-containing molecules. His work provides an insight into the limits of bonding possible for carbon. ***