Relativistic Effects of Chlorine in 15N NMR Chemical Shifts of Chlorine-Containing Amines

被引：2
|
作者：
Samul'tsev, D. O. [1 ]
Rusakov, Yu. Yu. [1 ]
Krivdin, L. B. [1 ]
机构：
[1] Russian Acad Sci, Favorskii Irkutsk Inst Chem, Siberian Branch, Ul Favorskogo 1, Irkutsk 664033, Russia
来源：
RUSSIAN JOURNAL OF ORGANIC CHEMISTRY | 2017年 / 53卷 / 11期
关键词：
COMPUTATIONAL SCHEMES; DFT;
D O I：
10.1134/S1070428017110215
中图分类号：
O62 [有机化学];
学科分类号：
070303 ; 081704 ;
摘要：
Quantum-chemical calculations by DFT method demonstrated that the accounting is necessary of the shielding by chlorine of nitrogen atom in practical calculations and interpretation of chemical shifts in N-15 NMR spectra.
引用
收藏
页码：1738 / 1739
页数：2
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