E 3 3 Trifluoromethyl phenylimino methyl benzene 1 2 diol X ray and DFT calculated structures
Yazarlar (4)
Prof. Dr. Başak KOŞAR KIRCA Sinop Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Mustafa Odabaşoǧlu
Pamukkale Üniversitesi, Türkiye
Pamukkale Üniversitesi, Türkiye
Orhan Büyükgüngör
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Ondokuz Mayis University Faculty of Science And Arts, Türkiye
| Makale Türü |
Özgün Makale
(SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
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| Dergi Adı | Turkish Journal of Chemistry (Q3) | ||
| Dergi ISSN | 1300-0527 Dergi Bilgileri (2010) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2010 |
| Kabul Tarihi | 01-01-2010 | Yayınlanma Tarihi | 01-01-2010 |
| Cilt / Sayı / Sayfa | 34 / 3 / 481–487 | DOI | 10.3906/kim-0906-33 |
| Makale Linki | https://journals.tubitak.gov.tr/cgi/viewcontent.cgi?article=2240&context=chem | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The crystal structure of (E)-3-[(3-(Trifluoromethyl) phenylimino)-methyl] benzene-1, 2-diol was determined using X-ray diffraction and the molecular structure was investigated with density functional theory (DFT). The X-ray study showed that the title compound has a strong intramolecular OH... N hydrogen bond and 3-dimensional crystal networks are primarily determined by OH... O intermolecular hydrogen bonds and weak van der Waals interactions. The strong OH... N bond is evidence of the preference for the phenol-imine tautomeric form in the solid state. Optimized molecular geometry was calculated with DFT at the B3LYP/6-31G (d, p) level. The results from both experiment and theoretical calculations for the title compound are compared with each other in this study. |
| Anahtar Kelimeler |
| DFT | IR | Phenol-imine | Schiff bases | X-ray crystal structure |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 3 |
| Scopus | 3 |
| Google Scholar | 6 |