RUI: Cycloaromatization of arenediynes

PI的基团将首先合成许多十元环烯二炔，其中烯烃是芳环或杂环的一部分。 然后将使用热反应条件来诱导这些分子的Bergman环化，并测量这些反应的速率和活化能。 烯二炔的含烯烃组分将被改变，使得互变异构、电荷依赖性等（即电子效应）对这些反应速率的影响可以通过实验来研究。 合作PI的团队将进行高水平的计算，以理论上确定烯的电子特性如何与实验确定的这些反应的速率相关。有了这个奖项，有机和大分子化学计划将支持K.C.博士的研究。北方肯塔基州大学化学系的罗素和卡罗尔·A·霍巴特威廉史密斯学院化学系的教区。罗素博士和教区将研究一种被称为伯格曼环化的化学反应。 Bergman环化是一种化学反应，是许多抗癌抗生素作用机制的核心。 了解参与这种反应的分子结构改变的电子效应，也许有一天会对理解临床化学有启示。 在这项工作的过程中培训的学生将获得实验和理论和有机化学的经验，并获得制药和特种化学工业所需的技能。

The PI's group will first synthesize a number of ten-membered ring enediynes where alkene is part of an aromatic ring or heterocycle. Thermal reaction conditions will then be used to induce Bergman cyclizations of these molecules and the rates and activation energies of these reactions will be measured. The alkene containing components of the endiynes will be varied so that tautomerization, charge dependence, etc (ie electronic effects) on the rates of these reactions can be studied experimentally. The co-PI's group will perform high level calculations to theoretically determine how the electronic character of the ene is related to the experimentally determined rates of these reactions.With this award, the Organic and Macromolecular Chemistry Program is supporting the research of Dr. K.C. Russell of the Department of Chemistry at Northern Kentucky University and Dr. Carol A. Parish of the Department of Chemistry at Hobart William Smith College. Drs. Russell and Parish will study a chemical reaction known as the Bergman cyclization. The Bergman cyclization is a chemical reaction which is central to the mechanism of action of a number of anticancer antibiotics. Understanding the electronic effects of changing the structures of the molecules which participates in this type of reaction may one day have revelance in understanding clinical chemistry. Students trained during the course of this work will gain experience in experimental and theoretical and organic chemistry and be aquiring skills needed by the pharmaceutical and speciality chemical industries.