XRD, Spectroscopic characterization (FT-IR, UV–Vis), Hirshfeld surface analysis and chemical activity of (E)-benzyl 2-((2S,3S,4R)-2,3,4-tris(benzyloxy)hex-5-enylidene) hydrazinecarboxylate
Yazarlar (4)
Prof. Dr. Zeynep Gültekin Çankiri Karatekin Üniversitesi, Türkiye
Doç. Dr. Zeynep KELEŞOĞLU Sinop Üniversitesi, Türkiye
Wolfgang Frey
Orhan Büyükgüngör
Ondokuz Mayis Üniversitesi, Türkiye
Ondokuz Mayis 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 (2018) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | Ingilizce | Basım Tarihi | 11-2018 |
| Cilt / Sayı / Sayfa | 1171 / 0 / 375–387 | DOI | 10.1016/j.molstruc.2018.05.076 |
| Makale Linki | http://dx.doi.org/10.1016/j.molstruc.2018.05.076 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
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| Özet |
| The title compound of (E)-benzyl 2-((2S,3S,4R)-2,3,4-tris(benzyloxy)hex-5-enylidene)hydrazinecarboxylate was synthesized and characterized by XRD, FT-IR and UV–Vis techniques. The intermolecular hydrogen bonds and π-ring interactions were illustrated by the three-dimensional Hirshfeld surface (HS) analysis and by two-dimensional fingerprint plots (FP). The relative contributions of different interactions to the HS indicated that the all atoms contacted and their percentage of the total HS area. The optimized geometry results, the complete vibrational frequency and all other structural and electronic features obtained by energy were calculated by using density functional theory (DFT) B3LYP method with the help of 6-311G(d,p) basis set. The optimized geometry results, which were well represented by the X-ray data, showed that DFT/B3LYP 6-311G(d,p) was a suitable level of theory for title compound. In … |
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BM Sürdürülebilir Kalkınma Amaçları
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| Google Scholar | 5 |