Theoretical spectroscopic and antioxidant activity studies on E 2 2 fluorophenylimino methyl 4 hydroxyphenol and E 2 3 fluorophenylimino methyl 4 hydroxyphenol compounds
Yazarlar (5)
Prof. Dr. Can Alaşalvar Giresun Üniversitesi, Türkiye
Prof. Dr. Aytaç Güder Giresun Üniversitesi, Türkiye
Prof. Dr. Halil Gökçe Giresun Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Raziye Çatak Çelik
Aksaray Üniversitesi, Türkiye
Makale Türü Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Journal of Molecular Structure (Q3)
Dergi ISSN 0022-2860 Dergi Bilgileri (2017)
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 01-2017
Kabul Tarihi Yayınlanma Tarihi 01-04-2017
Cilt / Sayı / Sayfa 1133 / 1 / 37–48 DOI 10.1016/j.molstruc.2016.11.066
Makale Linki https://linkinghub.elsevier.com/retrieve/pii/S0022286016312522
UAK Araştırma Alanları
Organik Kimya
Özet
We studied synthesis and characterization of the title compounds by using X-ray crystallographic technique, FT-IR spectroscopy, UV–Vis spectroscopy and Density functional method. Optimized geometry, vibrational frequencies and UV–Vis parameters of the title compounds in the ground state have been calculated by using B3LYP with the 6-311G+ (d,p) basis set. HOMO – LUMO energy gap, Non-linear optical properties are performed at B3LYP/6-311G+(d,p) level. For determination of antioxidant properties of the title compounds (CMPD1 and CMPD2) have been investigated by using different methods, i.e. ferric reducing antioxidant power (FRAP), hydrogen peroxide scavenging (HPSA), free radical scavenging (FRSA) and ferrous ion chelating activities (FICA). In comparison with standard antioxidants (BHA, BHT, and α-tocopherol), CPMD1 and CMPD2 have influential FRAP, HPSA, FRSA and FICA.
Anahtar Kelimeler
Antioxidant properties | Crystal structure | DFT method | FT-IR | Schiff base