Designing bis(phosphaalkenyl)germylenes and their tungsten complexes – A theoretical study

A theoretical investigation of bis(phosphaalkenyl)germanium(II) species of the type Ge(CR2 = PR1)2 (R1 = H, Me, Ph, Mes; R2 = H, Me, Ph, Cl, F, SiMe3) was performed in order to evaluate the singlet–triplet gap for the considered germylenes and the effect of groups in β and γ positions relative to the germanium atom. Optimized geometrical parameters are presented. The coordination ability of these species towards the W(CO)5 moiety was also investigated; calculations indicate a predilection for the coordination through the germanium atom.