The special C–C bond in icosahedral closo-dicarbadodecaboranes and its high plasticity have been highlighted several times, which is reflected in the ease of tuning the C–C bond distance with different substituents. Apart from this special case, the other bonds within the carborane clusters have not been investigated yet. DFT calculations demonstrated that the elongation of C–B and B–B bonds is ruled by the same effects as the well-investigated C–C bond; however, stretching of B–B generally requires more energy. These results indicate that the bonds of the carborane clusters do not differ significantly; in fact, they possess similar properties. The computational results encouraged us to synthesize the most promising derivatives. The distinct tuning was achieved by the variation of π-donor substituents. In the case of the 9,10-m-carboranyl-disulfanide derivatives, the B9–B10 bond distance is elongated up to 1.92(2) Å.

中文翻译：

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碳硼烷簇中的“化学拔河”：簇不同侧的不同调整


二十面体梭形二碳十二烷基中的特殊 C-C 键及其高可塑性已多次被强调，这反映在用不同取代基调整 C-C 键距离的容易程度上。除了这种特殊情况外，碳硼烷簇中的其他键尚未得到研究。DFT 计算表明，C-B 和 B-B 键的伸长率受与充分研究的 C-C 键相同的影响;然而，B-B 的拉伸通常需要更多的能量。这些结果表明，碳硼烷簇的键没有显着差异;事实上，它们具有相似的特性。计算结果鼓励我们合成最有前途的导数。独特的调谐是通过 π 供体取代基的变化实现的。在 9,10-m-碳硼酰-二磺酸衍生物的情况下，B9-B10 键距离被拉长至 1.92（2） Å。