کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5398255 | 1505885 | 2016 | 25 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Synthesis of a new ONNO donor tetradentate schiff base ligand and binuclear Cu(II) complex: Quantum chemical, spectroscopic and photoluminescence investigations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
The Schiff base compound 3,3â²-(1,4-phenylimino)-bis-[1,3-bis-(4-methoxyphenyl) propan-1-one)], formulated as C40H36N2O6, and its Cu(II) complex were synthesized and characterized by analytical analysis, various spectral techniques such as FT-IR, NMR, UV-vis, magnetic measurements and molar conductivity. Thermo gravimetric analysis (TGA and DTA) carried out to obtain information about its thermal stability. The molecular structure and spectroscopic properties of the ligand were obtained with FT-IR, 1H and 13C NMR, UV-vis investigations as experimentally and compared with theoretical results obtained from DFT/B3LYP/6-311++G(d,p) basis set. In addition to molecular calculations of the title compound, molecular electrostatic potential (MEP), dipole moments, atomic charges, HOMO-LUMO, NLO and NBO analysis were computed. The calculated results show that the optimized geometry can well reproduce the crystal structure parameters, and the theoretical vibrational frequencies, 1H and 13C NMR chemical shifts show good agreement with experimental values. Photoluminescence properties of the ligand and its Cu(II) complex were examined.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Luminescence - Volume 176, August 2016, Pages 193-201
Journal: Journal of Luminescence - Volume 176, August 2016, Pages 193-201
نویسندگان
Ahmet Oral SarıoÄlu, Ãmit Ceylan, Åerife Pınar Yalçın, Mehmet Sönmez, Gökhan Ceyhan, Muhittin Aygün,