Synthesis and Study of Some Theoretically Interesting Molecules

这项研究的重点是双重的。实验项目将集中于研究锥化烯的物理和化学性质，获得其中几个分子的自由基阴离子和环丁二烯的自由基阴离子的光分离光谱，并试图观察到环戊烷-2-酮-1，3-二基的衍生物在基质分离中的存在。计算研究将包括环丙烷和双取代衍生物的立体变异，几种其他类型的有机反应的势能表面，二和三自由基的电子态的几何构型和能量差，取代基和溶剂对C-H和O-H键解离能的影响，桨巷中的应变以及苯基硝烯和苯卡宾的化学差异。通过这项基于成就的续展奖项，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有机分子的研究上。实验和理论方法的结合可以为碳可以经历的成键类型提供新的见解。

The foci of this research are twofold. The experimental projects will focus on the investigating the physical and chemical properties of pyramidalized alkenes, obtaining photodetachment spectra of the radical anions of several of these molecules and of the radical anion of cyclobutadiene, and attempting to observe a derivative of cyclopentane-2-one-1,3-diyl in matrix isolation. The computational research will include studies of stereomutations of cyclopropane and geminally disubstituted derivatives, potential surfaces for several other types of organic reactions, geometries of and energy differences between electronic states of both di- and triradicals, substituent and solvent effects on C-H and O-H bond dissociation energies, strain in paddlanes and the differences between the chemistry of phenylnitrene and phenylcarbene. With this accomplishment based 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 study of highly strained organic molecules. The combination of both experimental and theoretical methodology can offer new insights to the types of bonding that carbon can undergo.