Two dinuclear NiII–CdII complexes of reduced ONNO-type Schiff bases: Synthesis, crystal structures, thermal kinetic analysis and DFT studies


Sonmez M., NAZIR H., Emir E., Svoboda I., Aksu L., Atakol O.

Journal of Thermal Analysis and Calorimetry, cilt.131, sa.3, ss.3077-3091, 2018 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 131 Sayı: 3
  • Basım Tarihi: 2018
  • Doi Numarası: 10.1007/s10973-017-6720-7
  • Dergi Adı: Journal of Thermal Analysis and Calorimetry
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.3077-3091
  • Anahtar Kelimeler: Heteronuclear complexes, Crystal structure, Thermal kinetic analysis, DFT, CRYSTAL-STRUCTURE, THERMAL-ANALYSIS, HETERODINUCLEAR COMPLEXES, STRUCTURE VALIDATION, DECOMPOSITION, KINETICS, TRI
  • Ankara Üniversitesi Adresli: Evet

Özet

© 2017, Akadémiai Kiadó, Budapest, Hungary.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.