Scrutinizing the two new o-hydroxy Schiff bases from the point oftautomeric behavior and non-covalent interactions (H-bond, Br/Br,p...p and C-H..p in their supramolecular architectures
Yazarlar (2)
Prof. Dr. Gökhan Kaştaş Samsun Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop 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 (2019) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2019 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-05-2019 |
| Cilt / Sayı / Sayfa | 1184 / 1 / 427–434 | DOI | 10.1016/j.molstruc.2019.02.058 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S0022286019301863 | ||
| UAK Araştırma Alanları |
Organik Kimya
|
||
| Özet |
| Two new Schiff bases, (E)-4,6-dibromo-2-[(5-chloro-2-methylphenylimino)methyl]-3-methoxyphenol (1) and (E)-4-bromo-2-[(4-bromophenylimino)methyl]-5-methoxyphenol (2), have been investigated by focusing on the prototropy-related-changes in the geometric parameters, the molecular planarity and the way of crystal packing. X-ray diffraction (XRD), density functional theory (DFT), Hartree-Fock theory (HF) and Møller–Plesset perturbation theory (MP2) and harmonic oscillator model of aromaticity (HOMA) studies show the preference of phenol-imine form by the compounds. The crystal packings of the compounds have been studied in detail by noting the importance of the substituent type and position in regulating the non-covalent interactions, thus, the formation of supramolecular networks. The results underline the fact that the halogen atoms of high polarizability and their presence in the appropriate position … |
| Anahtar Kelimeler |
| Keto-amine | Phenol-imine | Schiff base | Tautomerism | XRD |
Science Direct
Scrutinizing the two new o-hydroxy Schiff bases from the point oftautomeric behavior and non-covalent interactions (H-bond, Br/Br,p...p and C-H..p in their supramolecular architectures
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 13 |
| Scopus | 14 |
| Google Scholar | 17 |