Stable Localized 1,3-Diradicals Based on Boron and Heavier Main Group Elements

加州大学河滨分校化学系Guy Bertrand博士得到化学部无机、生物无机和有机金属化学计划的支持，该计划旨在研究稳定的、基于硼和较重主族元素的局部1，3-二自由基。最近，一些含有交替的硼和磷原子的四元环化合物被证明是以单重态双自由基的形式存在的。这个项目的目的是扩大这类化合物作为双基的作用范围，并确定控制双基特征的因素。将设计改进的PBPB双自由基的合成方法，以提供一系列化合物。这将被用来评估取代基对相对能量和双自由基单重态/三重态能隙的影响。为了增加双自由基的性质，单重态双自由基将形成扩展的低聚物。最后，将寻找基于硼、碳和其他14族原子的新的双自由基家族。合成研究将以理论预测为指导。在标准实验室条件下可以处理的双基的可用性将增加实际应用的可能性，例如导电非金属材料。此外，该项目处于物理化学、有机化学和无机化学的交界处，因此非常适合各级科学家的教育。反映出加州大学河滨分校被归类为少数族裔服务机构，一个多元化的学生团体将参与该项目。这项研究还将促进加州大学河滨分校与几所法国大学之间的合作研究和本科生、毕业生和博士后研究员的交流。

Dr. Guy Bertrand, Chemistry Department, University of California - Riverside, is supported by the Inorganic, Bioinorganic, and Organometallic Chemistry Program of the Chemistry Division for studies of stable, localized 1,3-diradicals based on boron and heavier main group elements. Recently some four-membered ring compounds containing alternating boron and phosphorus atoms have been shown to exist as singlet diradicals. This project aims to extend the range of such compounds that behave as diradicals and determine the factors that control the diradical character. Improved syntheses of PBPB diradicals will be devised to provide a range of compounds. These will be used to evaluate the influence of substituents on the relative energy and on the singlet/triplet gap of the diradicals. To increase the diradical character, singlet diradicals will be formed as extended oligomers. Finally, new families of diradicals based on boron, carbon, and other group 14 atoms will be sought. The synthetic investigations will be guided by theoretical predictions.The availability of diradicals that can be handled under standard laboratory conditions will raise the likelihood of practical applications, such as conductive non-metallic materials. Additionally, this project is at the interface between physical, organic and inorganic chemistry and is therefore well suited to the education of scientists at all levels. Reflecting the University of California - Riverside's classification as a minority serving institution, a diverse student body will be involved in the project. This research will also promote collaborative research and the exchange of undergraduates, graduates and postdoctoral fellows between UC Riverside and several French universities.