Abstract

A theoretical investigation of bis(phosphaalkenyl)germanium(II) species of the type Ge(CR 2 = PR 1) 2 (R 1 = H, Me, Ph, Mes; R 2 = H, Me, Ph, Cl, F, SiMe 3) 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.

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