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Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate

Yıl 2018, Cilt: 22 Sayı: 2, 499 - 510, 15.08.2018

Hasan Nazır Arda Atakol Emine Kübra İnal Nurcan Acar Erdal Emir Orhan Atakol

Öz

Two NNN type ligands namely bis-2,6-(pyrazol-1-yl) pyridyne (pp) and bis-2,6-(3,5-dimethyl-pyrazol-1-yl) pyridyne (dmpp) were prepared by the use of 2,6-dichloropyridine, pyrazol and 3,5-dimethylpyrazol. Using these ligands with SCN co-ligand two mononuclear Cu(II) complexes were synthesized and characterized. The complexes were investigated by thermogravimetry (TG) and differential thermal analysis (DTA) and subjected to isothermal and nonisothermal kinetic analyses. TG and DTA results indicated that the complexes showed two distinctive degradation steps and the NNN type ligand was removed from the structure at temperatures above 300 °C. The activation energies of these complexes and same thermodynamic parameters of these thermal reactions have been calculated. The situation of d orbitals of Cu(II) ion, the electron densities of donor atoms of the ligands, natural bond orbital (NBO) analysis, the theoretical IR spectra and HOMO-LUMO energy levels computed by the use of DFT/B3LYP methods with 6-311G (d) basis set in Gaussian 09 software. These data were employed to enlighten the thermal degradation of the complexes prepared.

Anahtar Kelimeler

Thermal kinetic analysis KAS; OFW; Energetic materials

Kaynakça

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Toplam 36 adet kaynakça vardır.

Ayrıntılar

Bölüm Makaleler
Yazarlar

Hasan Nazır

Arda Atakol Bu kişi benim

Emine Kübra İnal

Nurcan Acar

Erdal Emir Bu kişi benim

Orhan Atakol

Yayımlanma Tarihi 15 Ağustos 2018
Yayımlandığı Sayı Yıl 2018 Cilt: 22 Sayı: 2

Kaynak Göster

APA Nazır, H., Atakol, A., İnal, E. K., Acar, N., vd. (2018). Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, 22(2), 499-510. https://doi.org/10.19113/sdufbed.55586
AMA Nazır H, Atakol A, İnal EK, Acar N, Emir E, Atakol O. Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate. SDÜ Fen Bil Enst Der. Ağustos 2018;22(2):499-510. doi:10.19113/sdufbed.55586
Chicago Nazır, Hasan, Arda Atakol, Emine Kübra İnal, Nurcan Acar, Erdal Emir, ve Orhan Atakol. “Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 22, sy. 2 (Ağustos 2018): 499-510. https://doi.org/10.19113/sdufbed.55586.
EndNote Nazır H, Atakol A, İnal EK, Acar N, Emir E, Atakol O (01 Ağustos 2018) Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 22 2 499–510.
IEEE H. Nazır, A. Atakol, E. K. İnal, N. Acar, E. Emir, ve O. Atakol, “Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate”, SDÜ Fen Bil Enst Der, c. 22, sy. 2, ss. 499–510, 2018, doi: 10.19113/sdufbed.55586.
ISNAD Nazır, Hasan vd. “Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi 22/2 (Ağustos 2018), 499-510. https://doi.org/10.19113/sdufbed.55586.
JAMA Nazır H, Atakol A, İnal EK, Acar N, Emir E, Atakol O. Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate. SDÜ Fen Bil Enst Der. 2018;22:499–510.
MLA Nazır, Hasan vd. “Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate”. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, c. 22, sy. 2, 2018, ss. 499-10, doi:10.19113/sdufbed.55586.
Vancouver Nazır H, Atakol A, İnal EK, Acar N, Emir E, Atakol O. Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate. SDÜ Fen Bil Enst Der. 2018;22(2):499-510.
 Kapak Resmi İndir

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