Synthesis of new bis(thiosemicarbazone) derivatives and DFT analysis of antioxidant characteristics in relation to HAT and SET reactions
Yazarlar (4)
Prof. Dr. Halit MUĞLU Kastamonu Üniversitesi, Türkiye
Prof. Dr. Muhammet Serdar ÇAVUŞ Kastamonu Üniversitesi, Türkiye
Prof. Dr. Temel Kan BAKIR Kastamonu Üniversitesi, Türkiye
Doç. Dr. Hasan Yakan Ondokuz Mayıs Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of the Indian Chemical Society (Q2)
Dergi ISSN 0019-4522 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili Türkçe Basım Tarihi 12-2022
Kabul Tarihi Yayınlanma Tarihi 01-12-2022
Cilt / Sayı / Sayfa 99 / 12 / 100789–0 DOI 10.1016/j.jics.2022.100789
Makale Linki http://dx.doi.org/10.1016/j.jics.2022.100789
UAK Araştırma Alanları
Atom, Molekül ve Lazer Fiziği
Özet
A series of new bis(thiosemicarbazones) have been synthesized from terephthalaldehyde and various thiosemicarbazides. IR, 1H NMR, 13C NMR spectroscopic methods, and elemental analysis were used to characterize the identification of the synthesized compounds. The in vitro antioxidant activity determinations were made using the 1,1-Diphenyl-2-Picryl Hydrazil (DPPH) method. The compounds exhibited very different inhibition activities with the change of groups attached to the bis(thiosemicarbazone) structure. The spectral and electronic properties of the compounds were investigated by DFT calculation. Intramolecular interactions were analyzed by QTAIM and IRI calculations. Intrinsic bond strength index values of the N–H bonds, Fukui indices and the local electron affinities of the compounds were calculated, and the relationships between the compounds and their antioxidant activity properties were …
Anahtar Kelimeler
Antioxidant activity | Quantum-chemical calculations | Schiff bases | Spectroscopic studies | Thiosemicarbazone