A New Class of Neutral Boron-Based Diradicals Spanned by a Two-Carbon-Atom Bridge.

Authors :: Deissenberger A
Welz E
Drescher R
Krummenacher I
Dewhurst RD
Engels B
Braunschweig H
Source :: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2019 Feb 04; Vol. 58 (6), pp. 1842-1846. Date of Electronic Publication: 2019 Jan 11.
Publication Year :: 2019
Abstract: 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.<br /> (© 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.)

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