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The 15 N NMR study of silatranes
Author(s) -
JinChang Zhu,
XianYu Sun,
HuaJu Wu,
LiJin Jiang,
BangQin Chen,
GuanLi Wu
Publication year - 1986
Publication title -
acta chimica sinica english edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 0256-7660
DOI - 10.1002/cjoc.19860040206
Subject(s) - chemistry , cndo/2 , chemical shift , substituent , quantum chemical , computational chemistry , nitrogen , polar , nuclear magnetic resonance spectroscopy , silicon , fluorine 19 nmr , crystallography , molecule , stereochemistry , organic chemistry , physics , astronomy
Various silatrane compounds were studied by means of 15 N NMR spectroscopy. The quantum 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 substituent constants (s) of the substituents R on the silicon atoms, and also with the net charge densities on the nitrogen atoms. From both experimental and theoretical aspects, it could be concluded that the SiN dative bonds in a series of silatrane compounds actually exist.