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

基于硼和较重主族元素的稳定定域 1,3-双自由基

基本信息

批准号：
0518675
负责人：
Guy Bertrand
金额：
$ 43.5万
依托单位：
University of California-Riverside
依托单位国家：
美国
项目类别：
Continuing Grant
财政年份：
2005
资助国家：
美国
起止时间：
2005-08-01 至 2008-07-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=0518675&HistoricalAwards=false
关键词：
Stable Localized Diradicals Based Boron

项目摘要

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.

加州大学河滨分校化学系的 Guy Bertrand 博士得到化学系无机、生物无机和有机金属化学项目的支持，致力于研究基于硼和较重主族元素的稳定、局部 1,3-双自由基。最近，一些含有交替的硼和磷原子的四元环化合物已被证明以单线态双自由基的形式存在。该项目旨在扩展此类双自由基化合物的范围，并确定控制双自由基特征的因素。将设计改进的 PBPB 双自由基合成来提供一系列化合物。这些将用于评估取代基对相对能量和双自由基的单重态/三重态能隙的影响。为了增加双自由基特征，单线态双自由基将形成为延伸低聚物。最后，将寻找基于硼、碳和其他第 14 族原子的新双自由基家族。综合研究将以理论预测为指导。可以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交叉点，因此非常适合各级科学家的教育。反映加州大学河滨分校作为少数族裔服务机构的分类，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和几所法国大学之间的合作研究以及本科生、研究生和博士后的交流。