Title of article
Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation
Author/Authors
Sayadian ، Masoumeh - Islamic Azad University, Islamshahr Branch , Sadegh ، Hamidreza - West Pomeranian University of Technology
Pages
8
From page
239
To page
246
Abstract
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.
Keywords
Calix[4]arene , DFT , HF , Hydrogen bonding , Nanostructure , Chemical shift
Journal title
Chemical Methodologies
Serial Year
2018
Journal title
Chemical Methodologies
Record number
2462195
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