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Boron‐Metallated Borirenes and Bis(Borirenes)
Author(s) -
Braunschweig Holger,
Celik Mehmet Ali,
Dewhurst Rian D.,
Ferkinghoff Katharina,
Radacki Krzysztof,
Weißenberger Felix
Publication year - 2016
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.201600651
Subject(s) - moiety , boron , chemistry , density functional theory , electron transfer , stereochemistry , polar effect , medicinal chemistry , crystallography , photochemistry , computational chemistry , organic chemistry
Heating the metalloborylene complex [{(η 5 ‐C 5 Me 5 )Fe(CO) 2 }(μ‐B){Cr(CO) 5 }] with alkynes and diynes leads to the formation of B‐metallated borirenes and a bis(B‐metallated borirene) through formal transfer of the metalloborylene moiety [(η 5 ‐C 5 Me 5 )(OC) 2 Fe(B:)]. By using this protocol, a range of B‐metallated borirenes with electron‐donating and electron‐withdrawing substituents are prepared, and these are studied spectroscopically, structurally, and computationally. The yellow‐orange color of the complexes is additionally explained through time‐dependent density functional theory calculations.