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investigation of nmr parameters of para-sulfonato-calix[4]arene by hf calculation
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نویسنده
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sayadian masoumeh ,sadegh hamidreza
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منبع
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chemical methodologies - 2018 - دوره : 2 - شماره : 3 - صفحه:239 -246
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چکیده
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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.
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کلیدواژه
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calix[4]arene ,dft ,hf ,hydrogen bonding ,nanostructure ,chemical shift
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آدرس
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islamic azad university, islamshahr branch, department of chemistry, ایران, west pomeranian university of technology, faculty of chemical technology and engineering, division of functional materials and biomaterials, poland
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پست الکترونیکی
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hamid-sadegh@zut.edu.pl
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Authors
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