Molecular structure quantum mechanical calculation and radicalscavenging activities of E 4 6 dibromo 2 3 5 dimethylphenylimino methyl 3 methoxyphenol and E 4 6 dibromo 2 2 6 dimethylphenylimino methyl 3 methoxyphenol compounds 130 2014 357 356
Yazarlar (6)
Prof. Dr. Can Alaşalvar Giresun Üniversitesi, Türkiye
Prof. Dr. Mustafa Serkan Soylu Giresun Üniversitesi, Türkiye
Prof. Dr. Aytaç Güder Giresun Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Gökhan Apaydin Karadeniz Technical University, 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 (2014) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 09-2014 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-09-2014 |
| Cilt / Sayı / Sayfa | 130 / 1 / 357–366 | DOI | 10.1016/j.saa.2014.03.069 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S1386142514004806 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| In this study, (E)-4,6-dibromo-2-[(3,5-dimethylphenylimino)methyl]-3- methoxyphenol and (E)-4,6-dibromo-2-[(2,6-dimethylphenylimino)methyl]-3- methoxyphenol compounds have been synthesized and characterized by using X-ray crystallographic method, FT-IR and Density functional method. The molecular geometry, vibrational frequencies of the title compounds in the ground state have been calculated by using B3LYP with the 6-31G(d,p) basis set. The tautomeric form of the compounds has been demonstrated by using single crystal X-ray method, FT-IR spectrometer and DFT method. In addition, HOMO-LUMO energy gap, molecular electrostatic potential map and NBO analysis of the compounds are performed at B3LYP/6-31G(d,p) level. It may be remarked that the free radical scavenging activities of the title compounds were assessed using DPPH, DMPD +, and ABTS+ assays. The obtained results show that especially compound 2 has effective DPPH (SC |
| Anahtar Kelimeler |
| Crystal structure | DFT method | Radical scavenging activities | Schiff base |
Science Direct
Molecular structure quantum mechanical calculation and radicalscavenging activities of E 4 6 dibromo 2 3 5 dimethylphenylimino methyl 3 methoxyphenol and E 4 6 dibromo 2 2 6 dimethylphenylimino methyl 3 methoxyphenol compounds 130 2014 357 356
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 18 |
| Scopus | 20 |