Fluxional Bonds in Planar B19 − , Tubular Ta@B20 − , and Cage-Like B39 −,Journal of Computational Chemistry

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Fluxional Bonds in Planar B19 − , Tubular Ta@B20 − , and Cage-Like B39 −
Journal of Computational Chemistry ( IF 3.4 ) Pub Date : 2018-10-20 , DOI: 10.1002/jcc.25728
Miao Yan ₁ , Hai‐Ru Li ₁ , Xiao‐Yun Zhao ₁ , Xiao‐Qin Lu ₁ , Yue‐Wen Mu ₁ , Hai‐Gang Lu ₁ , Si‐Dian Li ₁

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Based on detailed bonding analyses on the fluxional behaviors of planar B19−, tubular Ta@B20−, and cage‐like B39−, we propose the concept of fluxional bonds in boron nanoclusters as an extension of the classical localized bonds and delocalized bonds in chemistry. © 2018 Wiley Periodicals, Inc.

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