Experimental and DFT studies of 2-methyl-quinoxaline and its silver (I) complex: Non-covalent interaction analysis, antimicrobial activity and molecular docking study
Yazarlar (4)
Ceyhun Küçük Gazi Üniversitesi, Türkiye
Şenay Yurdakul
Gazi Üniversitesi, Türkiye
Doç. Dr. Sibel ÇELİK Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Belgin ERDEM Kırşehir Ahi Evran Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Elsevier BV (Q2)
Dergi ISSN 1387-7003 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 11-2022
Kabul Tarihi 12-04-2026 Yayınlanma Tarihi
Cilt / Sayı / Sayfa 145 / 1 / 109935–0 DOI 10.1016/j.inoche.2022.109935
Makale Linki http://dx.doi.org/10.1016/j.inoche.2022.109935
Özet
The current study describes the characterization and vibrational spectra (elemental analysis, FT-IR, ¹H NMR and UV-Visible absorption) of 2-Methyl-quinoxaline (2-MQ) and synthesized [Ag(2-Methyl-quinoxaline)(NO3)]. The experimental investigation is supported by theoretical calculations at the DFT level. The frontier molecular orbitals (HOMO and LUM...
Anahtar Kelimeler
2-Methyl-quinoxaline | AIM | Molecular docking | RDG | Silver complex | Vibrational spectra