【摘 要】
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A beryllium bond is an intermolecular attraction between a beryllium atom with partial positive charge and an electronegative region in acceptor molecule.An unpaired electron in a radical molecule,suc
【机 构】
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Institute of Theoretical Chemistry,State Key Laboratory of Theoretical and Computational Chemistry,J
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A beryllium bond is an intermolecular attraction between a beryllium atom with partial positive charge and an electronegative region in acceptor molecule.An unpaired electron in a radical molecule,such as the methyl radical,could act as the beryllium bond acceptor to form a new kind of single-electron beryllium bond.The complexes between Y-C [Y = H3,H3CH2,(H3C)2H and(H3C)3] and BeX2[X = F,H] molecules have been investigated to show the existence of a single-electron beryllium bond.It is found that the intermolecular interaction energies of the Y-C…BeX2 complexes gradually increase with the number of involved methyl substituents,and are weaker than most conventional beryllium bond energies.
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