Stability of heavier group 14 analogues of vinylidene complexes: A theoretical study

Abstract

Density functional calculations were carried out to study the stability of the heavier group 14 analogues of vinylidene complexes M(Cl)2(=C= EH2)(PH3)2, M(Cl)2(=E=CH 2)(PH3)2 (M = Ru, Os), Cp2M(=C= EH2)(Cl), and Cp2M(=E=CH2)(Cl) (M = Nb, Ta), where E = C, Si, Ge, Sn. The results of the calculations show that the d 6 osmium complexes Os(Cl)2(=C=EH2)(PR 3)2 are the most promising targets for synthesis.