title: Synthesis and characterization of the non-Kekulé, singlet biradicaloid Ar'Ge(micro-NSiMe(3))(2)GeAr' (Ar' = 2,6-Dipp(2)C(6)H(3), Dipp = 2,6-i-Pr(2)C(6)H(3)).
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.
authors.affiliation: Department of Chemistry, University of California Davis, One Shields Avenue, Davis, California 95616, USA.
authors.forename: Chunming
authors.initials: C
authors.lastname: Cui
authors.forename: Marcin
authors.initials: M
authors.lastname: Brynda
authors.forename: Marilyn M
authors.initials: MM
authors.lastname: Olmstead
authors.forename: Philip P
authors.initials: PP
authors.lastname: Power