Experimental (XRD, FTIR, UV–Vis, NMR) and theoretical investigations (chemical activity descriptors, NBO, DNA/ECT) of (E)-2-((2-hydroxy-5-methoxybenzylidene)amino)-4-nitrophenol
Yazarlar (5)
Enis Güzel
Doç. Dr. Zeynep KELEŞOĞLU Sinop Üniversitesi, Türkiye
Ceren Çiçek
Prof. Dr. Erbil Ağar Ondokuz Mayis Üniversitesi, Türkiye
Prof. Dr. Metin Yavuz Türkiye
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Molecular Crystals and Liquid Crystals (Q3) | ||
| Dergi ISSN | 1542-1406 Dergi Bilgileri (2021) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Türkçe | Basım Tarihi | 01-2021 |
| Cilt / Sayı / Sayfa | 724 / 1 / 58–76 | DOI | 10.1080/15421406.2021.1905143 |
| Makale Linki | http://dx.doi.org/10.1080/15421406.2021.1905143 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| The new Schiff base of compound was synthesized and characterized by XRD, FTIR, UV–Vis and NMR techniques. The structure with two molecules in its asymmetric unit showed the enol-imine form in one and the keto-amine form in the other. Both tautomeric forms are stabilized by strong O–H…N and N–H…O intramolecular hydrogen bonds. Optimized geometrical parameters and calculated spectroscopic features obtained by DFT/B3LYP/6-31G(d,p) calculations show a good agreement with the experimental data. Accordingly local and global chemical activity descriptors were investigated. |
| Anahtar Kelimeler |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 15 |