Microwave-assisted synthesis, characterizations, antimicrobial activities, and DFT studies on some pyridine derived Schiff bases
    
Yazarlar (6)
Melike Ayaz
Türkiye
Doç. Dr. Özlem GÜNDOĞDU AYTAÇ Kırşehir Ahi Evran Üniversitesi, Türkiye
Doç. Dr. Sertan AYTAÇ Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Belgin ERDEM Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Harun ÇİFTÇİ Kırşehir Ahi Evran Üniversitesi, Türkiye
Yusuf Erdoğdu
Gazi Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı JOURNAL OF MOLECULAR STRUCTURE (Q2)
Dergi ISSN 0022-2860 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili Türkçe Basım Tarihi 12-2022
Cilt / Sayı / Sayfa 1269 / 0 / – DOI 10.1016/j.molstruc.2022.133791
Makale Linki http://dx.doi.org/10.1016/j.molstruc.2022.133791
Özet
This study reports a joint experimental, theoretical and microbiological investigation on the (E)-N,N-dimethyl-4-((pyridine-2-ylmethylene)amino)aniline (5), (E)-N,N-dimethyl-4-((pyridine-4-ylmethylene)amino)aniline (6) and (E)-N,N-dimethyl-4-((pyridine-3-ylmethylene)amino)aniline (7). These compounds were synthesized with microwave method and their structures characterized by FT-IR, 1H-NMR, 13C-NMR, and elemental analysis tecniques. In the theoretical studies, torsional barriers analysis, ground state structure, Fourier Transform Infrared spectra (FT-IR), and Nuclear Magnetic Resonance spectra (NMR) of 5, 6, and, 7 were calculated by Density Functional Theory (DFT) computations. The conformers obtained from the torsional barrier scanning were optimized by B3LYP/6-31G(d,p) level. The harmonic vibrational frequencies, potential energy distribution (PED), infrared intensities, and NMR chemical shifts of …
Anahtar Kelimeler
Schiffbases | Microwave synthesis | Characterizations | Antimicrobial activities | DFT