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Dergiler / Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi / 2018 / Cilt: 22 - Sayı: 2

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

Hasan NAZIR
Arda ATAKOL
EMİNE KÜBRA İNAL
NURCAN ACAR
Erdal EMİR
ORHAN ATAKOL
Sayfa
499–510
DOI
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These data were employed to enlighten the thermal degradation of the complexes prepared.

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Amaç & Hipotez: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.
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Temel Bulgular & Veri: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.
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Sonuç & Katkı:These data were employed to enlighten the thermal degradation of the complexes prepared.
🔬Tür:Araştırma Makalesi
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Thermal kinetic analysis · KAS · OFW

Özet

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.

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Bu Makaleye Atıf Yap

NAZIR, H., ATAKOL, A., İNAL, E. K., ACAR, N., EMİR, E., ATAKOL, O. (2018). Synthesis, Thermal Kinetic Analysis and DFT Calculations of Pyrazine and Pyridine Complexes of Copper(II) Thiocyanate. Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Cilt: 22 - Sayı: 2, 499–510. https://ajindex.com/articles/310080

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Kaynakça (12)

  1. Jameson, D. L., Goldsby, K. A. 2,6-bis(N-pyrazolyl) pyridines. J. Org. Chem., 55 (1990), 4992-4994
  2. Palion-Gazda, J., Machura, B., Kruszynski, R., Grancha, T., Moliner, N., Lloret, F., Julve, M. Spin Crossover in Double Salts Containing Six- and Four-Coordinate Cobalt(II) Ions. Inorg. Chem., 56 (2017), 6281-96
  3. Kruger, C., Augustin, P., Nemec, I., Travnicek, Z., Oshio, H., Boca, R., Renz, F. Spin Crossover in Iron(III) Complexes with Pentadentate Schiff Base Ligands and Pseudohalido Coligands. Eur. J. Inorg. Chem., (2013),905-12
  4. Broring, M., Kohler, S., Pietzonka, C. Pseudohalogenido complexes of iron-2,2'-bidipyrrins. J. Porphyrine and Phatalocyanines, 16 (2012), 641-50
  5. Nijhuma, M., Samiran, M., Volker, G., S. Ozra, G., Abdul Malik, K. M. Synthesis, characterization and crystal structures of some four coordinated nickel(II) complexes with tridentate Schiff base ligands. Polyhedron, 20 (2001), 135-41
  6. Kurtaran, R., Odabaşıoğlu, S., Azizoğlu, A., Kara, H., Atakol, O. Experimental and computational study on [2,6-bis(3,5-dimethyl-N-pyrazolyl) pyridine]-(dithiocyanato)mercury(II). Polyhedron, 26 (2007), 5069-5074
  7. Arıcı, C., Ülkü, D., Kurtaran, R., Ergun, Ü., Atakol, O. Crystal Structure Analysis of [bis-2,6-(3,5-dimethylpyrazolyl)pyridine-dicyanato] copper(II) monohydrate. Crystal Res. Technol., 41 (2006), 309-313
  8. Manikandan, P., Thomas, K. R. J., Manoharan, P. T. Structural and spectral diversities in copper(II) complexes of 2,6-bis(3,5-dimethyl- pyrazol-1-ylmethyl)pyridine]. J. Chem. Soc. Dalton Trans., (2000), 2779-83
  9. Taştekin, M., Arıcı, C., Svoboda, I., Emregül, K. C., Kurtaran, R., Atakol O., Fuess, H. The Synthesis, structure and thermal decomposition of some Cu(II) complexes with NNN type ligands and thiocyanate anion. Z. Kristallogr., 222 (2007), 255-258
  10. Grove, H., Julve, M., Lloret, F., Kruger, P.E., Tornroos, K. W., Sletten, J. Syntheses, crystal structures and magnetic properties of copper(II) polynuclear and dinuclear compounds with 2,3-bis(2-pyridyl)pyrazine (dpp) and pseudohalide as ligands. Inorg. Chim. Acta., 325 (2001), 115-124
  11. Das, A., Bhattacharya, K., Giri, S., Ghosh, A. Synthesis, crystal structure and magnetic properties of a dinuclear and a trinuclear Ni(II) complexes derived from tetradentate ONNO donor Mannich base ligands. Polyhedron, 134 (2017), 295-301
  12. Bhargavi, G., Rajasekharan, M. V., Costes, J. P. Synthesis, Crystal Structure and Magnetic Properties of [Mn((1R,2R)-Salcy)