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Planar, Twisted, and Trans-Bent:  Conformational Flexibility of Neutral Diborenes

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posted on 19.03.2008, 00:00 authored by Yuzhong Wang, Brandon Quillian, Pingrong Wei, Yaoming Xie, Chaitanya S. Wannere, R. Bruce King, Henry F. Schaefer, Paul v. R. Schleyer, Gregory H. Robinson
The potassium graphite reduction of R‘BBr3 (R‘ = :C{N(2,4,6-Me3C6H2)CH}2) in Et2O led to the isolation of 3 (R‘(H)BB(H)R‘) and 4 (R‘(H)2B−B(H)2R‘), with BB double and B−B single bonds, respectively. These compounds were characterized by single-crystal X-ray diffraction, 1H and 11B NMR, and elemental analyses. Neutral diborene 3 exhibits polymorphic planar (3a), twisted (3b), and trans-bent (3c) geometries in the solid state.

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