Fluxional Bonds in Planar B 19  − , Tubular Ta@B 20  − , and Cage‐Like B 39  − | Zendy

Yan Miao | Zendy; Li HaiRu | Zendy; Zhao XiaoYun | Zendy; Lu XiaoQin | Zendy; Mu YueWen | Zendy; Lu HaiGang | Zendy; Li SiDian | Zendy

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Fluxional Bonds in Planar B 19 − , Tubular Ta@B 20 − , and Cage‐Like B 39 −

Author(s) -

Yan Miao,

Li HaiRu,

Zhao XiaoYun,

Lu XiaoQin,

Mu YueWen,

Lu HaiGang,

Li SiDian

Publication year - 2019

Publication title -

journal of computational chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.907

H-Index - 188

eISSN - 1096-987X

pISSN - 0192-8651

DOI - 10.1002/jcc.25728

Subject(s) - delocalized electron , nanoclusters , crystallography , boron , planar , chemistry , cage , chemical bond , atomic physics , materials science , physics , nanotechnology , combinatorics , computer graphics (images) , mathematics , organic chemistry , computer science

Based on detailed bonding analyses on the fluxional behaviors of planar B 19 − , tubular Ta@B 20 − , and cage‐like B 39 − , 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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