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本文对杂氮硅三环类化合物作了~(15)N核磁共振研究,并用CNDO/Ⅱ方法对部分化合物进行了量子化学计算。导出了~(15)N化学位移随硅上取代基R的Taft极性取代常数σ~*和氮原子净电荷密度线性变化的规律。从实验和理论两方面进一步证实了杂氮硅三环类化合物分子中存在着Si←N配位键。
In this paper, ~ (15) N nuclear magnetic resonance of aza-tricyclic compounds has been studied, and some compounds have been calculated by CNDO / Ⅱ method. The chemical shift of ~ (15) N shifts linearly with the Taft polarity substitution constant σ ~ * and the net charge density of nitrogen atoms on the R substituent on silicon. It is further confirmed experimentally and theoretically that there are Si ← N coordination bonds in the molecule of the trisubstituted azacycloheterocyclic compounds.