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

Guy Bertrand博士，化学系，加州-滨江大学，是由无机，生物无机和有机化学计划的化学部的支持，稳定的，本地化的1，3-双自由基的基础上硼和较重的主族元素的研究。近年来，一些含有硼和磷原子交替的四元环化合物已被证明以单线态双自由基形式存在。 该项目旨在扩大此类化合物的范围，表现为双自由基，并确定控制双自由基字符的因素。将设计PBPB双自由基的改进合成以提供一系列化合物。这些将被用来评估取代基的相对能量和单重态/三重态间隙的双自由基的影响。为了增加双自由基特性，单重双自由基将形成为扩展的低聚物。最后，将寻找基于硼、碳和其他14族原子的双自由基的新家族。合成研究将以理论预测为指导。可在标准实验室条件下处理的双自由基的可用性将提高实际应用的可能性，例如导电非金属材料。此外，该项目处于物理，有机和无机化学之间的界面，因此非常适合各级科学家的教育。为了反映加州大学-滨江分校作为少数民族服务机构的分类，一个多元化的学生团体将参与该项目。这项研究还将促进合作研究和本科生，研究生和博士后研究员之间的交流加州大学滨江和几所法国大学。

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.