Stability of Heavier Group 14 Analogues of Vinylidene Complexes: A Theoretical Study

Density functional calculations were carried out to study the stability of the heavier group 14 analogues of vinylidene complexes M(Cl) 2 ( C EH 2 )(PH 3 ) 2, M(Cl) 2 ( E CH 2 )(PH 3 ) 2 (M = Ru, Os), Cp 2 M( C EH 2 )(Cl), and Cp 2 M( E CH 2 )(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 EH 2 )(PR 3 ) 2 are the most promising targets for synthesis.