posted on 2022-01-04, 11:43authored byZhipeng Li, Guoliang Song, Zhen Hua Li
Through theoretical
computations, we found that boron can form
thermodynamically stable pentacoordinate compounds. Pentacoordinate
boron (penta-B) is just hypercoordinate but not hypervalent because
it forms only four covalent bonds, of which at least one is a multicenter
bond. Being electron deficient, to be pentacoordinate, at least two
of its bonding atoms should have low electronegativity. Penta-B can
be formed in HkB(CH3)m(XH3)n (X
= Si, Ge, Sn, and n ≥ 2) and BR5 (R = BH2NH3, AsH2, and BeH). Based
on a systematic investigation of these model compounds, we designed
three thermodynamically stable penta-B compounds that can potentially
be synthesized by hydrogenating their tricoordinate counterparts under
mild reaction conditions.