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A topological pattern for understanding the structures of boranes and borane analog compounds

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Abstract

For the structure interpretation and rationalization of boranes and borane analog compounds, the five C2v symmetric molecules B4H10, Al4H10, Ga4H10, Si4H6, and Ge4H6 are proposed as the structural units for the construction of the boranes and borane analog compounds Al n H n 2− , Al m H n , Ga m H n , Si n 2− , and Ge n 2− . The superiorities of the structure interpretation method can be summarized as following. Firstly, the three kinds of hydrogens, i.e., endo-, bridge-, and external-hydrogen of the boranes and borane analog compounds can be regarded as inherited from the corresponding structural units B4H10, Al4H10, and Ga4H10. Secondly, the arcuated skeleton of the boranes and borane analog compounds can be considered as originated from the dihedral angle of the corresponding structural units B4H10, Al4H10, Ga4H10, Si4H6, and Ge4H6. Thirdly, the five structural units B4H10, Al4H10, Ga4H10, Si4H6, and Ge4H6, and their iso-electronic molecule C4H6 can act as a linkage among the boranes, borane analog compounds, and hydrocarbon compounds on some extent. Fourthly, the instability of some boranes can be correlated with the structure constraint of the B4H10 structural unit within the constructed borane. All computational work is performed at B3LYP/6-311+G(D) level.

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Acknowledgments

The financial support of the Fuyang Teachers College (2013FSKJ05ZD) is gratefully acknowledged. And we also thank Prof. Mingsheng Tang and Dr. Yanyan Zhu of Zhengzhou University for the valuable suggestion in writing, molecule geometry computation, and picture making of this article.

Conflict of interest

The authors declare no competing financial interest.

Author information

Correspondence to Rongbao Liao.

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Liao, R., Zhu, Y., Li, Q. et al. A topological pattern for understanding the structures of boranes and borane analog compounds. Struct Chem 26, 353–364 (2015). https://doi.org/10.1007/s11224-014-0488-1

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Keywords

  • Borane
  • Borane analog compound
  • Cluster
  • Structural unit
  • Topological