Cleaving Dihydrogen with Tetra(o‑tolyl)diborane(4)

Tetra­(o-tolyl)­diborane­(4), 1, was synthesized and characterized experimentally as well as theoretically by density functional theory (DFT) calculations. Exposure of 1 to H2 (1 bar) at room temperature afforded the corresponding di­(o-tolyl)­hydro­borane through cleavage of the H–H and B–B bonds....

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Bibliographic Details
Published in:Journal of the American Chemical Society 2017-02, Vol.139 (7), p.2593-2596
Main Authors: Tsukahara, Nana, Asakawa, Hiroki, Lee, Ka-Ho, Lin, Zhenyang, Yamashita, Makoto
Format: Article
Language:English
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Summary:Tetra­(o-tolyl)­diborane­(4), 1, was synthesized and characterized experimentally as well as theoretically by density functional theory (DFT) calculations. Exposure of 1 to H2 (1 bar) at room temperature afforded the corresponding di­(o-tolyl)­hydro­borane through cleavage of the H–H and B–B bonds. DFT calculations suggested a diaryl­boryl anion character for the transition state.
ISSN:0002-7863
1520-5126
DOI:10.1021/jacs.7b00924