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      Observation of a metal-centered B2-Ta@B18− tubular molecular rotor and a perfect Ta@B20− boron drum with the record coordination number of twenty

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          Abstract

          A B 2-Ta@B 18 tubular molecular rotor and a Ta@B 20 boron drum with the record coordination number of twenty were observed via a joint experimental and theoretical investigation.

          Abstract

          A tubular molecular rotor B 2-Ta@B 18 ( 1) and boron drum Ta@B 20 ( 2) with the highest coordination number of twenty in chemistry are observed via a joint photoelectron spectroscopy and first-principles theory investigation.

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          Generalized Gradient Approximation Made Simple

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            Toward reliable density functional methods without adjustable parameters: The PBE0 model

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              Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs.

              At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes. Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal.
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                Author and article information

                Journal
                CHCOFS
                Chemical Communications
                Chem. Commun.
                Royal Society of Chemistry (RSC)
                1359-7345
                1364-548X
                2017
                2017
                : 53
                : 10
                : 1587-1590
                Affiliations
                [1 ]Department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular Engineering of Ministry of Education
                [2 ]Tsinghua University
                [3 ]Beijing 100084
                [4 ]China
                [5 ]Department of Chemistry
                [6 ]Brown University
                [7 ]Providence
                [8 ]USA
                [9 ]Institute of Molecular Science
                [10 ]Shanxi University
                [11 ]Taiyuan 030006
                Article
                10.1039/C6CC09570D
                ca372478-aa06-4eac-a8b9-7161f55ffdaf
                © 2017
                History

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