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Hexagonal Bipyramidal [Ta 2 B 6 ] −/0 Clusters: B 6 Rings as Structural Motifs
Author(s) -
Li WeiLi,
Xie Lu,
Jian Tian,
Romanescu Constantin,
Huang Xin,
Wang LaiSheng
Publication year - 2014
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201309469
Subject(s) - boron , icosahedral symmetry , crystallography , cluster (spacecraft) , chemistry , pentagonal bipyramidal molecular geometry , bipyramid , cluster chemistry , fullerene , molecule , materials science , nanotechnology , crystal structure , organic chemistry , computer science , programming language
It has been a long‐sought goal in cluster science to discover stable atomic clusters as building blocks for cluster‐assembled nanomaterials, as exemplified by the fullerenes and their subsequent bulk syntheses.1, 2 Clusters have also been considered as models to understand bulk properties, providing a bridge between molecular and solid‐state chemistry.3 Because of its electron deficiency, boron is an interesting element with unusual polymorphism. While bulk boron is known to be dominated by the three‐dimensional (3D) B 12 icosahedral motifs,4 new forms of elemental boron are continuing to be discovered.5 In contrast to the 3D cages commonly found in bulk boron, in the gas phase two‐dimensional (2D) boron clusters are prevalent.6–8 The unusual planar boron clusters have been suggested as potential new bulking blocks or ligands in chemistry.6a Herein we report a joint experimental and theoretical study on the [Ta 2 B 6 ] − and [Ta 2 B 6 ] clusters. We found that the most stable structures of both the neutral and anion are D 6 h bipyramidal, similar to the recently discovered MB 6 M structural motif in the Ti 7 Rh 4 Ir 2 B 8 solid compound.9