Theoretical Design of Stable Pentacoordinate Boron Compounds.
ACS Omega
; 7(2): 2391-2397, 2022 Jan 18.
Article
em En
| MEDLINE
| ID: mdl-35071926
ABSTRACT
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 H k B(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.
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MEDLINE
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Ano de publicação:
2022
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Article