Synthesis and Characterization of the Non-Kekulé, Singlet Biradicaloid Ar‘Ge(<i>μ</i>-NSiMe₃)₂GeAr‘ (Ar‘ = 2,6-Dipp₂C₆H₃, Dipp = 2,6-<i>i</i>-Pr₂C₆H₃)

Abstract

Reaction of Ar'GeGeAr' (1) with an excess of Me3SiN3 gives the non-Kekulé, biradicaloid Ar'Ge(mu-NSiMe3)2GeAr' (3, Ar' = 2,6-Dipp2C6H3, Dipp = 2,6-i-Pr2C6H3) which has a planar Ge2N2Si2 array and pyramidal geometry at the germaniums. DFT calculations for the model MeGe(mu-NSiH3)2GeMe indicate no Ge-Ge bonding and a singlet ground state. The calculated energy difference between the optimized singlet and triplet states is 17.51 kcal/mol.