DFT calculations spectroscopy and antioxidant activity studies on E 2 nitro 4 phenylimino methyl phenol
Yazarlar (8)
Prof. Dr. Ersin Temel Giresun Üniversitesi, Türkiye
Prof. Dr. Can Alaşalvar Giresun Üniversitesi, Türkiye
Prof. Dr. Halil Gökçe Giresun Üniversitesi, Türkiye
Prof. Dr. Aytaç Güder Giresun Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Yelda Bingöl Alpaslan Giresun Üniversitesi, Türkiye
Prof. Dr. Gökhan Alpaslan Giresun Üniversitesi, Türkiye
Nefise Dilek
Aksaray Üniversitesi, Türkiye
Aksaray Üniversitesi, Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Q2) | ||
| Dergi ISSN | 1386-1425 Dergi Bilgileri (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 02-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-02-2015 |
| Cilt / Sayı / Sayfa | 136 / 0 / 534–546 | DOI | 10.1016/j.saa.2014.09.067 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S1386142514014255 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| We have reported synthesis and characterization of (E)-2-nitro-4-[(phenylimino)methyl]phenol by using X-ray crystallographic method, FT-IR and UV–vis spectroscopies and density functional theory (DFT). Optimized geometry and vibrational frequencies of the title compound in the ground state have been computed by using B3LYP with the 6-311G+(d,p) basis set. HOMO–LUMO energy gap, Non-linear optical properties and NBO analysis of the compound are performed at B3LYP/6-311G+(d,p) level. Additionally, as remarkable properties, antioxidant activity of the title compound (CMPD) has been determined by using different antioxidant test methods i.e. ferric reducing antioxidant power (FRAP), hydrogen peroxide scavenging (HPSA), free radical scavenging (FRSA) and ferrous ion chelating activities (FICA). When compared with standards (BHA, BHT, and α-tocopherol), we have concluded that CPMD has … |
| Anahtar Kelimeler |
| Antioxidant activity | Crystal structure | DFT method | FT-IR | Schiff base |
Science Direct
DFT calculations spectroscopy and antioxidant activity studies on E 2 nitro 4 phenylimino methyl phenol
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 52 |
| Scopus | 53 |
| Google Scholar | 68 |