论文部分内容阅读
Various silatrane compounds were studied by means of ~(15)N NMR spectroscopy. Thequantum chemical calculations of some of the compounds were carried out using CNDO/2 method.The following correlations were obtained, i. e., ~(15)N chemical shifts vary linearly with Taft’s polar sub-stituent constants σ*(s) of the substituents R on the silicon atoms, and also with the net charge den-sities on the nitrogen atoms. From both experimental and theoretical aspects, it could be concluded thatthe Si←N dative bonds in a series of silatrane compounds actually exist.
The chemical compounds of some of the compounds were carried out using CNDO / 2 method. The following correlations were obtained, ie, ~ (15) N chemical shifts vary linearly with Taft’s polar sub-stituent constants σ * (s) of the substituents R on the silicon atoms, and also with the net charge den-sities on the nitrogen atoms. From both experimental and theoretical aspects, it could be concluded that the Si ← N dative bonds in a series of silatrane compounds actually exist.