The first Ge(0)–Ge(II) germylone–germylene-paired Ge2 complex (LSi)2Ge2 (4) and the molecular Ge4 cluster (LSi)2Ge4 (5) supported by the chelating carbanionic ortho-C,C′-dicarborandiyl-silylene ligand LSi [L = C,C′-C2B10H10, Si = PhC(tBuN)2Si] have been synthesized and isolated via reduction of the corresponding precursors chlorogermyl-germyliumylidene chloride (2), [(LSi)2Ge(Cl)Ge]+Cl–, and (LSi
Disilene has attracted considerable interests due to the trans-bending geometry which is significantly different from the planar alkene. However, the equilibrium between disilene and isomeric silylsilylene has not been fully understood. Here, we report a density functional theory (DFT) study on this equilibrium. Calculations reveal significant effects of substituent, aromaticity and base. Specifically, the parent disilene is thermodynamically more stable than the isomeric silylene.
Density functional theory (DFT) calculations were carried out to investigate the 1,2-migration in metallasilabenzenes. The results suggested that the chloride migration of metallabenzenes is unfavorable due to the loss of aromaticity in the nonaromatic analogues. In sharp contrast, such a migration in metallasilabenzenes is favorable due to the reluctance of silicon to participate in π bonding. The migration of hydride and methyl group from the metal center to the silicon atom in metallasilabenzenes is computed to be also feasible.