Erdal Emir - Academia.edu (original) (raw)
Papers by Erdal Emir
Journal of Thermal Analysis and Calorimetry
Two ONNO-type Schiff bases, bis-N,N′-(salicylidene)-1,3-diaminopropane and bis-N,N′-(2-hydroxyace... more Two ONNO-type Schiff bases, bis-N,N′-(salicylidene)-1,3-diaminopropane and bis-N,N′-(2-hydroxyacetophenylidene)-1,3-propanediamine, were reduced using NaBH4 and converted to two phenol–amine-type tetradentate ligands, bis-N,N′-(2-hydroxybenzyl)-1,3-diaminopropane (LHH2) and bis-N,N′-[1(2-hydroxyphenyl)ethyl]-1,3-diaminopropane (LACHH2). These ligands were used to prepare two NiII–CdII heterodinuclear complexes, namely [DMF·NiLH·CdI2·DMF] and [DMF·NiLACH·CdBr2·DMF] in DMF medium. The molecular structure and unit cells of these complexes have been elucidated by the use of X-ray diffraction data. The thermogravimetric analysis of the compounds revealed that as the temperature is increased, the first coordinative DMF molecule was removed from the structure followed by a second coordinative DMF molecule with the complete decomposition of the complex. The activation energies and Arrhenius pre-exponential factor of these thermal reactions were determined by the use of isothermal Coats–Redfern, nonisothermal Ozawa–Flynn–Wall and Kissinger–Akahira–Sunose methods. The results obtained for the first thermal reaction were similar since the structure of both complexes remained intact during this process. Also, the theoretical calculations of the bond lengths, bond angles and natural bond orbital analysis of both complexes were carried out using the algorithms embedded in Gaussian 09 software.
Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Apr 27, 2018
Two NNN type ligands namely bis-2,6-(pyrazol-1-yl) pyridyne (pp) and bis-2,6-(3,5-dimethyl-pyrazo... more 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.
Journal of Thermal Analysis and Calorimetry
Journal of Thermal Analysis and Calorimetry
Two ONNO-type Schiff bases, bis-N,N′-(salicylidene)-1,3-diaminopropane and bis-N,N′-(2-hydroxyace... more Two ONNO-type Schiff bases, bis-N,N′-(salicylidene)-1,3-diaminopropane and bis-N,N′-(2-hydroxyacetophenylidene)-1,3-propanediamine, were reduced using NaBH4 and converted to two phenol–amine-type tetradentate ligands, bis-N,N′-(2-hydroxybenzyl)-1,3-diaminopropane (LHH2) and bis-N,N′-[1(2-hydroxyphenyl)ethyl]-1,3-diaminopropane (LACHH2). These ligands were used to prepare two NiII–CdII heterodinuclear complexes, namely [DMF·NiLH·CdI2·DMF] and [DMF·NiLACH·CdBr2·DMF] in DMF medium. The molecular structure and unit cells of these complexes have been elucidated by the use of X-ray diffraction data. The thermogravimetric analysis of the compounds revealed that as the temperature is increased, the first coordinative DMF molecule was removed from the structure followed by a second coordinative DMF molecule with the complete decomposition of the complex. The activation energies and Arrhenius pre-exponential factor of these thermal reactions were determined by the use of isothermal Coats–Redfern, nonisothermal Ozawa–Flynn–Wall and Kissinger–Akahira–Sunose methods. The results obtained for the first thermal reaction were similar since the structure of both complexes remained intact during this process. Also, the theoretical calculations of the bond lengths, bond angles and natural bond orbital analysis of both complexes were carried out using the algorithms embedded in Gaussian 09 software.
Süleyman Demirel Üniversitesi Fen Bilimleri Enstitüsü Dergisi, Apr 27, 2018
Two NNN type ligands namely bis-2,6-(pyrazol-1-yl) pyridyne (pp) and bis-2,6-(3,5-dimethyl-pyrazo... more 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.
Journal of Thermal Analysis and Calorimetry