有机硼和硅共轭及多重键分子的构筑及性质研究

有机硼和硅多重键及共轭分子的构筑和性质研究一直是主族元素有机化学研究的前沿领域。由于硼和硅的特殊电子结构，含有硼和硅多重键分子具有很高的反应活性，极难分离与表征。自申请人课题组成立以来，一直致力于这类新型分子的合成与表征工作，发展了合成这些活性分子的新方法并发现了稳定这类分子的核心因素。本项目在此研究的基础上，深入开展有机硼和硅新型多重键体系的研究。一是研究构筑这些分子的简洁途径，结合理论计算、电子光谱及结构的研究进一步阐明这类分子的成键模式，发展理解这些分子性质的新理论。二是系统研究这些含硅和硼的多重键单元与有机共轭单元组合的新方法，以期利用有机共轭体系与这些单元的共轭和芳香效应稳定这些活性分子，扩展稳定有机杂化共轭分子空间，深入研究这些杂化分子的稳定性与电子结构关系及取代基关系，研究这些分子的光电性质，发展新型的并具有特殊的或优异的光、电和磁特性的有机硅和硼的分子。

Construction and peoperties of conjugated and multiple bonding species containing boron and silicon have been the frontiers in main group organic chemistry. The multiple bonding species of boron and silicon are in general highly reactive and difficulty to be isolated due to their unusual electronic structures. Our group has long interest in the synthesis and characterization of these unique molecules and have developed several concise synthetic routes to these species and investigated the key factors for their stabilization. On the basis of our previous studies, the goal of this project is to extensively investigate this unqiue system, including: (1) developments of concise routes to the new multiple bonding species containing boron and silicon and further understanding of the bonding nature of these new molecules by DFT calculations and the investigations on their electronic properties and structures; (2) new strategies for the construction of the hybrid organic conjugated and aromatic molecules containing silicon and boron multiple bonding fragments with the expectation to stabilize these highly reactive molecules by the electronic conjugation and expansion of conjugated molecular space by the introduction of boron and silicon atom. The relationship between the stability and electronic structures of these conjugated and aromatic hybrid molecules will be investigated. In addition, in order to develop new types of the boron and silicon compounds with unique or excellent optical,electronic and magnetic properties, the chemical and phsical properties of these molecules will be extensively studied experimentally and theoretically.