Structural, Spectroscopic, Antimicrobial Activity and DFT Studies on 4-Methyl-N-(4-methylphenylsulfonyl)-N-phenylbenzenesulfonamide
- Bilecik Şeyh Edebali University, Department of Chemistry, Faculty of Arts and Sciences (Turkey)
- Bilecik Şeyh Edebali University, Department of Nursing, School of Health (Turkey)
- Ondokuz Mayıs University, Department of Mathematics and Science Education, Faculty of Education (Turkey)
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, {sup 1}H {sup 13}C NMR and UV-Vis spectroscopies. Quantum chemical calculations of molecular geometry, vibrational wavenumbers and gauge including atomic orbital (GIAO) {sup 1}H and {sup 13}C-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.
- OSTI ID:
- 22786346
- Journal Information:
- Optics and Spectroscopy, Journal Name: Optics and Spectroscopy Journal Issue: 1 Vol. 125; ISSN 0030-400X; ISSN OPSUA3
- Country of Publication:
- United States
- Language:
- English
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