Synthesis and Characterization of the Non-Kekulé, Singlet Biradicaloid Ar‘Ge( μ -NSiMe 3 ) 2 GeAr‘ (Ar‘ = 2,6-Dipp 2 C 6 H 3 , Dipp = 2,6- i -Pr 2 C 6 H 3 )
2004; American Chemical Society; Volume: 126; Issue: 21 Linguagem: Inglês
10.1021/ja0492182
ISSN1943-2984
AutoresChunming Cui, M. Brynda, Marilyn M. Olmstead, Philip P. Power,
Tópico(s)Coordination Chemistry and Organometallics
ResumoReaction of Ar'GeGeAr' (1) with an excess of Me3SiN3 gives the non-Kekulé, biradicaloid Ar'Ge(μ-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(μ-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.
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