Вышедшие номера
Structural, spectroscopic, antimictobial activity and DFT studies on 4-methyl-N-(4-methylphenylsulfonyl)-N-phenylbenzenesulfonamide*
Переводная версия: 10.1134/S0030400X18070068
Eren Bilge1, Ozdemir Kocak Fadime2, Ozdemir Namik3
1Department of Chemistry, Faculty of Arts and Sciences, Bilecik Seyh Edebali University, Bilecik, Turkey
2Department of Nursing, School of Health, Bilecik Seyh Edebali University, Bilecik, Turkey
3Department of Mathematics and Science Education, Faculty of Education, Ondokuz Mayis University, Samsun, Turkey
Email: namiko@omu.edu.tr
Поступила в редакцию: 1 октября 2017 г.
Выставление онлайн: 19 июня 2018 г.

This study reports the structural characterization of a disulfonimide derivative, 4-methyl-N-(4-methylphenylsulfonyl)-N-phenylbenzenesulfonamide (MPBSA), using spectroscopic and quantum chemical methods. The molecule was characterized with FT-IR, 1H 13C-NMR and UV-Vis spectroscopies. Quantum chemical calculations of molecular geometry, vibrational wavenumbers and gauge including atomic orbital (GIAO) 1H and 13C-NMR chemical shifts of the compound were carried out by using density functional method (DFT) at B3LYP/6--311++G(d,p) level of theory. Electronic absorption spectra of the compound have been computed using the time-dependent density functional theory (TD-DFT) method at the same level. A satisfactory consistency between the experimental and theoretical findings was obtained. The antimicrobial activity screening of the compound was performed on some bacteria and fungus species using microdilution method. The results showed that the title molecule have noteworthy antibacterial and antifungal activities. -17

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