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首页> 外文期刊>Chemistry: A European journal >Synthesis and properties of thiophene-fused benzocarborane
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Synthesis and properties of thiophene-fused benzocarborane

机译：噻吩稠合苯并甲硼烷的合成与性能

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摘要

The o-carborane-based π-conjugated compound, benzocarborano- [2,1-b:3,4-b']dithiophene was synthesized. Its crystal structure revealed high coplanarity for the two thiophene rings of the 2,2'-bithiophene skeleton, which is fixed in the cisoid structure by the o-carborane unit. Theoretical calculations indicated non-aromaticity for its center C_6 ring moiety as well as decreased HOMO and LUMO levels. The o-carborane moiety provides an electron-withdrawing character to the 2,2'-bithiophene unit through an inductive effect. Fused carboranes: The o-carborane-based π-conjugated compound, benzocarborano[2,1-b:3,4-b']dithiophene, was synthesized (see scheme). The 2,2'-bithiophene unit is fixed in the cisoid structure with high planarity by the o-carborane unit. The o-carborane moiety provides an electron-withdrawing character to the 2,2'-bithiophene unit through an inductive effect.
机译：合成了基于邻甲硼烷的π-共轭化合物苯并甲硼烷-[2,1-b：3,4-b']二噻吩。它的晶体结构显示了2,2'-联噻吩骨架的两个噻吩环的高共面性，该环被邻-碳环单元固定在顺式结构中。理论计算表明，其中心C_6环部分具有非芳香性，并且HOMO和LUMO水平降低。邻-碳硼烷部分通过感应作用向2,2'-联噻吩单元提供吸电子特性。熔融碳硼烷：合成了基于邻碳硼烷的π共轭化合物苯并碳硼烷[2,1-b：3,4-b']二噻吩（参见方案）。 2，2'-联噻吩单元通过邻-碳环单元固定在具有高平面度的cisoid结构中。邻-碳硼烷部分通过感应作用向2,2'-联噻吩单元提供吸电子特性。

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