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Prediction of Boron–Boron Triple‐Bond Polymers Stabilized by Janus‐Type Bis(N‐heterocyclic) Carbenes
Author(s) -
Fantuzzi Felipe,
Chaer Nascimento Marco A.
Publication year - 2015
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201500241
Subject(s) - boron , homonuclear molecule , triple bond , excited state , macromolecule , dimer , janus , materials science , polymer , chemistry , polymer chemistry , photochemistry , crystallography , molecule , double bond , nanotechnology , organic chemistry , atomic physics , biochemistry , physics
A class of polymeric compounds containing boron–boron triple bonds stabilized by N‐heterocyclic biscarbenes is proposed. Since a triply bonded B 2 is related to its third excited state, the predicted macromolecule would be composed by several units of an electronically excited first‐row homonuclear dimer. Moreover, it is shown that the replacement of biscarbene with N 2 or CO as spacers could change the bonding profile of the boron–boron units to a cumulene‐like structure. Based on these results, different types of diboryne polymers are proposed, which could lead to an unprecedented set of boron materials with distinct physical properties. The novel diboryne macromolecules could be synthesized by the reaction of Janus‐type biscarbenes with tetrabromodiborane, B 2 Br 4 , and sodium naphthalenide, [Na(C 10 H 8 )], similarly to Braunschweig’s work on the room temperature stable boron–boron triple bond compounds ( Science , 2012 , 336 , 1420).