Synthesis spectroscopic characterizations and quantum chemical computational studies of Z 4 E p tolyldiazenyl 6 2 hydroxyphenylamino methylene 2 methoxycyclohexa 2 4 dienone
Yazarlar (4)
Mustafa Odabaşoǧlu
Pamukkale Üniversitesi, Türkiye
Pamukkale Üniversitesi, Türkiye
Prof. Dr. Çiğdem ALBAYRAK KAŞTAŞ Sinop Üniversitesi, Türkiye
Prof. Dr. Başak KOŞAR KIRCA Sinop Üniversitesi, Türkiye
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 | Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (Q2) | ||
| Dergi ISSN | 1386-1425 Dergi Bilgileri (2012) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 06-2012 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-06-2012 |
| Cilt / Sayı / Sayfa | 92 / 1 / 357–364 | DOI | 10.1016/j.saa.2012.02.101 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S1386142512002181 | ||
| UAK Araştırma Alanları |
Organik Kimya
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| Özet |
| In this study, the molecular structure and spectroscopic properties of title compound were characterized by X-ray diffraction, FT-IR and UV–vis spectroscopies. These properties of title compound were also investigated from calculative point of view. The X-ray diffraction and FT-IR analyses reveal the existence of keto form in the solid state. UV–vis spectra were recorded in different organic solvents. The results show that title compound exists in both keto and enol forms in DMSO, EtOH but it exists in enol form in benzene. In addition, the title compound in DMSO showed new absorption band at 436nm due to the high ionizing effect of this solvent. The geometry optimization of title compound in gas phase was performed using DFT method with B3LYP applying 6-311G(d,p) basis set. TD-DFT calculations starting from optimized geometry were carried out in gas phase to calculate excitation energies of title compound. The … |
| Anahtar Kelimeler |
| Azo dye | DFT | Non-linear optical properties | Schiff base | Spectral characterization | TD-DFT |
Science Direct
Synthesis spectroscopic characterizations and quantum chemical computational studies of Z 4 E p tolyldiazenyl 6 2 hydroxyphenylamino methylene 2 methoxycyclohexa 2 4 dienone
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 35 |
| Web of Science | 22 |
| Scopus | 34 |
| Scopus | 21 |
| Google Scholar | 38 |
| Google Scholar | 28 |