engleski

syn-2, 7-disilatetracyclo[6.2.1.13, 602, 7]dodec-2(7)-ene: Structural Influence of Incorporation of Disilene into Sesquinorbornene Framework: A DFT Study

Quantum chemical calculations of disilene bridge incorporated in sesquinorbornene skeleton using density functional theory at the B3LYP/6-31G* level are reported. Calculated structures of syn- and anti- derivatives of disilasesquinorbornenes showed significant non-planarity and asymmetry of the central Si=Si double bond. The influence of the replacement of the carbon atoms by silicon on molecular and electronic structure of these molecules has been investigated.

pyramidalization; DFT calculations

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