Copper(I) iodide complex with 4-pyridinecarboxaldehyde ligand: Synthesis, spectroscopic characterisation, AIM and NCI analysis combined with molecular docking and antibacterial activity studies
    
Yazarlar (3)
Sibel Çelik Kırşehir Ahi Evran Üniversitesi, Türkiye
Şenay Yurdakul
Gazi 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 Journal of Molecular Structure (Q2)
Dergi ISSN 0022-2860 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 02-2023
Cilt / Sayı / Sayfa 1273 / 1 / – DOI 10.1016/j.molstruc.2022.134279
Makale Linki http://dx.doi.org/10.1016/j.molstruc.2022.134279
Özet
In this article, we synthesized a [CuI(4-Pyridinecarboxaldehyde)4] complex characterized by CHN analyses, FT-IR, UV-Vis, and DFT. The spectroscopic characteristics and biological activities of the synthesized complex were investigated using quantum mechanical methods using combined experimental and computational approaches. The orbital NBO and topo...
Anahtar Kelimeler
Antibacterial activity | Copper complex | DFT | Molecular docking | Pyridinecarboxaldehyde