Literature DB >> 15584759

Planar tetra-, penta-, hexa-, hepta-, and octacoordinate silicons: a universal structural pattern.

Si-Dian Li1, Chang-Qing Miao, Jin-Chang Guo, Guang-Ming Ren.   

Abstract

A universal structural pattern has been presented at density function theory level to incorporate planar tetra-, penta-, hexa-, hepta-, and octacoordinate silicons in C2v B(n)E2Si series (E = CH, BH, or Si; n = 2-5) and D8h B8Si. The equivalence in valence electron counts and one-to-one correspondence of the delocalized pi and sigma valence orbitals with small boron clusters strongly support the optimized structures containing planar coordinate silicons. Planar B(n)E2Si series are predicted to be aromatic in nature, and the vertical detachment energies of their anions are presented to facilitate future photoelectron experiments. This structural pattern can be applied to form other planar coordinate nonmetals including Ge, P, As, Al, and Ga and needs to be confirmed in experiments to open a new branch of chemistry on planar coordinate main group elements.

Entities:  

Year:  2004        PMID: 15584759     DOI: 10.1021/ja045303y

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  3 in total

1.  CSi2Ga2: a neutral planar tetracoordinate carbon (ptC) building block.

Authors:  Li-Ming Yang; Xiao-Ping Li; Yi-Hong Ding; Chia-Chung Sun
Journal:  J Mol Model       Date:  2008-11-05       Impact factor: 1.810

2.  Probing the structure and electronic properties of beryllium doped boron clusters: A planar BeB16- cluster motif for metallo-borophene.

Authors:  Dongliang Kang; Weiguo Sun; Hongxiao Shi; Cheng Lu; Xiaoyu Kuang; Bole Chen; Xinxin Xia; George Maroulis
Journal:  Sci Rep       Date:  2019-10-07       Impact factor: 4.379

3.  The inversion of tetrahedral p-block element compounds: general trends and the relation to the second-order Jahn-Teller effect.

Authors:  Lukas M Sigmund; Rouven Maier; Lutz Greb
Journal:  Chem Sci       Date:  2021-12-15       Impact factor: 9.825

  3 in total

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