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A New Class of Neutral Boron‐Based Diradicals Spanned by a Two‐Carbon‐Atom Bridge
Author(s) -
Deissenberger Andrea,
Welz Eileen,
Drescher Regina,
Krummenacher Ivo,
Dewhurst Rian D.,
Engels Bernd,
Braunschweig Holger
Publication year - 2019
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201813335
Subject(s) - delocalized electron , boron , carbene , chemistry , alkyl , ground state , atom (system on chip) , carbon atom , electron delocalization , carbon fibers , crystallography , photochemistry , computational chemistry , materials science , atomic physics , physics , organic chemistry , computer science , embedded system , catalysis , composite number , composite material
A new structural class of boron‐based diradicals is prepared by Lewis base addition to and reduction of singly cyclic (alkyl)(amino)carbene (CAAC) stabilised diborylalkenes. The diradicals feature a perpendicular olefinic bridge preventing delocalization between the B(CAAC) π systems, making the coupling between the spin centres very weak. DFT calculations indicate that the compounds are ground‐state (open‐shell) singlets, with triplet states negligibly higher in energy, thus making the triplet states easily populated thermally.