Synthesis and Characterization of the Non-Kekulé, Singlet Biradicaloid Ar‘Ge(<i>μ</i>-NSiMe<sub>3</sub>)<sub>2</sub>GeAr‘ (Ar‘ = 2,6-Dipp<sub>2</sub>C<sub>6</sub>H<sub>3</sub>, Dipp = 2,6-<i>i</i>-Pr<sub>2</sub>C<sub>6</sub>H<sub>3</sub>)
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Reaction 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.
创建时间：
2016-05-07
