E 2 acetyl 4 4 methoxyphenyldiazenyl phenol X ray and DFT calculated structure
Yazarlar (5)
Prof. Dr. Serap Yazici Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Ismail Erdem Gümrükçüoǧlu Ondokuz Mayis University Faculty of Science And Arts, Türkiye
Ismet Şenel Ondokuz Mayis University Faculty of Science And Arts, 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 (2011) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 10-2011 |
| Kabul Tarihi | 01-01-2011 | Yayınlanma Tarihi | 01-01-2011 |
| Cilt / Sayı / Sayfa | 35 / 2 / 341–347 | DOI | 10.3906/kim-0910-34 |
| Makale Linki | https://journals.tubitak.gov.tr/cgi/viewcontent.cgi?article=2166&context=chem | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| The crystal structure of the title compound,(E)-2-acetyl-4-(4-methoxyphenyldiazenyl) phenol, displays a trans configuration of the azo moiety as found for other azo (diazene) derivatives. The aromatic mean planes are nearly coplanar and the dihedral angle between the 2 aromatic rings is 3.04 (8) &# 9702;. The molecules, with strong intramolecular O–H... O hydrogen bonding, are linked by weak van der Waals interactions in the 3-dimensional network. The molecular geometry, determined using X-ray diffraction techniques, was also calculated with the density functional theory (DFT), employing the hybrid exchange-correlation functional B3LYP. Experimental and theoretical IR spectra of the compound were also calculated for comparison. The results of the experimental and theoretical calculations are compared in this study. |
| Anahtar Kelimeler |
| DFT | Diazenyl | IR | X-ray |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 5 |
| Scopus | 5 |
| Google Scholar | 5 |