杂氮硅三环类化合物的结构与毒性

The Structure and Toxicity of Silatranes

用量子化学ＡＭ１方法研究杂氮硅三环类化合物的电子结构，化学键和结构与毒性的关系．

A theoretical study on the relationship betweenthe electronic structure,chemical bonds and toxicity of silatranes has been carried out by AM1 method of quantum chemistry.This research has been shown that the bond R Si in silatrane is a weak bond and relationship between the lower antibond orbital energy level of R Si and the toxicity of silatranes is excellent with experiments.