Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation

被引：1
|
作者：
Sayadian, Masoumeh [1 ]
Sadegh, Hamidreza [2 ]
机构：
[1] Islamic Azad Univ, Dept Chem, Islamshahr Branch, Islamshahr, Iran
[2] West Pomeranian Univ Technol, Fac Chem Technol & Engn, Div Funct Mat & Biomat, Al Piastow 45, Szczecin, Poland
来源：
CHEMICAL METHODOLOGIES | 2018年 / 2卷 / 03期
关键词：
Calix[4]arene; DFT; HF; Hydrogen bonding; Nanostructure; Chemical shift;
D O I：
10.22631/chemm.2018.129621.1050
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Conformationally-rigid para-sulfonato-calix[4]arene (C28H24O16S4) was isolated. The NMR parameters of the structure of calix[4]arenes have been compared. The study of organic structures to form nanoporous materials is a well-known chemical phenomena (supermolecular chemistry) that is necessary for finding the crystal forms of calix[4]arenes. We investigated and compared the hydrogen bonding, oxygen, and sulfur atom effects on calix[4]arene via Hartree-fock(HF) theory by the Gaussian 98 of program package. [GRAPHICS] .
引用
收藏
页码：239 / 246
页数：8
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