Synthetic and Theoretical Studies of Silicon-Silicon Triple Bond Species

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Toward electron excess species of unknown silicon-silicon triple bond (disilyne), we investigated the reductive elimination of ethylene and acetylenes from silyl-substituted bissilacyclopropane and bissilacyclopropenyl. As a-result, the synthesis of silyl-substituted bissilacyclopropane was successful. However, the Li-metal reduction of silyl-substituted bissilacyclopropane with Li-metal to give an electron excess species of disilyne met with failure. On the way of this project, it was also found that the thermal isomerization of phenyl-substituted bissilacyclopropane afforded a new phenyl-substituted 1,4-disila(Dewar-benzne) as a byproduct. Furthermore synthetic attempt a 1,4-disilabenzene metal complexesthe reaction of 1,4-disila(Dewar-benzene) with metal complexes were failed. From these studies, a new synthetic route for silyl-substituted 1,4-disila(Dewar-benzene) was disclosed. Finally, as a first example of electron excess species of silicon-aromatic compounds, 1,4-disilabenzene diaion was successfully isolated by the Li-metal reduction of 1,4-disia(Dewar-benzene). The manuscript of this result is now in preparationIt have been reported that AIM and ELF theoretical calculation of silicon-silicon, triple bond showed bond order nearly two because of one bond like alone-pair and the trans-bent structures. We followed their results using AIM and ELF calculation program respectively. These theoretical methods were applied to another bonding problem of silicon-containing compounds