Department of Chemistry, Brown University, Providence, RI 02912 (USA) http://casey.brown.edu/chemistry/research/LSWang/index.html.
Angew Chem Int Ed Engl. 2014 Jan 27;53(5):1288-92. doi: 10.1002/anie.201309469. Epub 2013 Dec 18.
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) B12 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 Ta2 B6 and [Ta2 B6 ] clusters. We found that the most stable structures of both the neutral and anion are D6h bipyramidal, similar to the recently discovered MB6 M structural motif in the Ti7 Rh4 Ir2 B8 solid compound.9.
作为用于组装纳米材料的团簇的构建块，发现稳定的原子团簇一直是团簇科学中的一个长期目标，例如富勒烯及其随后的大规模合成。1,2 团簇也被认为是理解体相性质的模型，在分子和固态化学之间架起了桥梁。3 由于其电子缺乏，硼是一种具有不寻常多态性的有趣元素。虽然已知块状硼主要由三维（3D）B12 二十面体基元主导，但仍在不断发现新的硼单质形式。5 与在块状硼中常见的 3D 笼相比，在气相中二维（2D）硼团簇更为常见。6-8 这些不寻常的平面硼团簇已被提议作为化学中的潜在新块状基元和配体。6a 在此，我们报告了关于Ta2 B6 和[Ta2 B6 ]团簇的实验和理论联合研究。我们发现，中性和阴离子的最稳定结构均为 D6h 双锥，类似于最近在 Ti7 Rh4 Ir2 B8 固体化合物中发现的 MB6 M 结构基元。9.
