Experimental and theoretical Fourier transform infrared and Raman spectroscopy, density functional theory, antibacterial activity and molecular docking studies on 1-(4-methoxyphenyl)-1H-imidazole
Yazarlar (3)
Ceyhun Küçük Gazi Üniversitesi, Türkiye
Senay Yurdakul Gazi Üniversitesi
Prof. Dr. Belgin ERDEM Kırşehir Ahi Evran Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Chemical Papers (Q3)
Dergi ISSN 0366-6352 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI
Makale Dili Türkçe Basım Tarihi 01-2022
Kabul Tarihi 12-04-2026 Yayınlanma Tarihi
Cilt / Sayı / Sayfa 76 / 5 / 2833–2854 DOI 10.1007/s11696-021-02017-8
Makale Linki http://dx.doi.org/10.1007/s11696-021-02017-8
Özet
Fourier transform infrared (FT-IR) and Raman (FT-Ra) spectra of 1-(4-methoxyphenyl)-1H-imidazole were recorded and
analyzed. The vibrational wavenumbers of the structure were computed by using the density functional theory (DFT)/Becke
three Lee–Yang–Parr (B3LYP)/6–311 ++ g(d,p) basis set. The highest occupied molecular orbital (HOMO) and the lowest...
Anahtar Kelimeler
1-(4-methoxyphenyl)-1H-imidazole | Antimicrobial activity | DFT | FT-IR | FT-Raman