首页> 外国专利> Neutral Tricoordinate Organoboron Derivatives Isoelectronic with Amines and Phosphines

Neutral Tricoordinate Organoboron Derivatives Isoelectronic with Amines and Phosphines

机译:中性三坐标有机硼衍生物与胺和膦等电子

摘要

Amines and boranes are the archetypical Lewis bases and acids, respectively. The former can readily undergo one-electron oxidation to give radical cations, whereas the latter are easily reduced to afford radical anions. The present invention provides the synthesis of neutral tricoordinate boron derivatives, which act as a Lewis base, and undergoes one-electron oxidation into the corresponding radical cation. The present invention also provides borylene (H—B:) and borinylium (H—B+.) complexes stabilized by two cyclic (alkyl)(amino)carbenes. Ab initio calculations show that the HOMO [Highest Occupied Molecular Orbital] of the borane as well as the SOMO [Singly Occupied Molecular Orbital] of the radical cation are essentially a pair and a single electron in the p(π)-orbital of boron, respectively.
机译:胺和硼烷分别是典型的路易斯碱和酸。前者可以容易地进行单电子氧化以产生自由基阳离子,而后者则易于还原以提供自由基阴离子。本发明提供了合成的中性三配位硼衍生物,其充当路易斯碱,并经过单电子氧化成相应的自由基阳离子。本发明还提供了由两个环状(烷基)(氨基)卡宾稳定的硼烯(HB :)和硼鎓(HB- +)的配合物。从头算计算表明,硼烷的HOMO(最高占据分子轨道)和自由基阳离子的SOMO(单占据分子轨道)本质上是硼的p(π)轨道中的一对和一个电子,分别。

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