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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.