Synthesis spectral analysis structural elucidation and quantum chemical studies of E methyl 4 2 phenylhydrazono methyl benzoate
Yazarlar (4)
Prof. Dr. Zarife Sibel ŞAHİN Sinop Üniversitesi, Türkiye
Hülya Şenöz
Hacettepe Üniversitesi, Türkiye
Hacettepe Üniversitesi, Türkiye
Habibe Tezcan
Orhan Büyükgüngör
Ondokuz Mayıs Üniversitesi, Türkiye
Ondokuz Mayıs 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 (2015) | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 05-2015 |
| Kabul Tarihi | – | Yayınlanma Tarihi | 01-05-2015 |
| Cilt / Sayı / Sayfa | 143 / 0 / 91–100 | DOI | 10.1016/j.saa.2015.02.032 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S1386142515001845 | ||
| UAK Araştırma Alanları |
Yoğun Madde Fiziği
|
||
| Özet |
| The title compound, (E)-methyl-4-[(2-phenylhydrazono)methyl]benzoate, (I), (C15H14N2O2), has been synthesized by condensation reaction of methyl-4-formylbenzoate and phenylhydrazine. The compound has been characterized by elemental analysis, IR, 1H NMR, 13C NMR, UV–Vis spectroscopies and single crystal X-ray diffraction techniques. Optimized molecular structure, harmonic vibrational frequencies, 1H and 13C NMR chemical shifts have been investigated by B3LYP/6-31G(d,p) method using density functional theory (DFT). Global chemical reactivity descriptors, natural population analysis (NPA), thermodynamic and non-linear optical (NLO) properties have also been studied. The energetic behavior of the compound has been examined in solvent media using the integral equation formalism polarizable continuum model (IEF-PCM). |
| Anahtar Kelimeler |
| Condensation reactions | Hydrazone | DFT | X-ray | Non-linear optic |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 39 |
| Google Scholar | 50 |