%0 Journal Article %T Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation %J Chemical Methodologies %I Sami Publishing Company %Z 2645-7776 %A Sayadian, Masoumeh %A Sadegh, Hamidreza %D 2018 %\ 07/01/2018 %V 2 %N 3 %P 239-246 %! Investigation of NMR Parameters of para-Sulfonato-calix[4]arene by HF Calculation %K Calix[4]arene %K DFT %K HF %K Hydrogen bonding %K Nanostructure %K Chemical shift %R 10.22034/chemm.2018.63198 %X 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. %U https://www.chemmethod.com/article_63198_60fcbf95c00f8230f12ba7492638ed69.pdf