Nickel(II) complexes of the unsymmetrical tetradentate Schiff base of methyl-2-(N-2 %26apos;-aminoethane), (1-methyl-2 %26apos;-aminoethane), (3-aminopropylamino)cyclopentenedithiocarboxylate: Synthesis, characterization, thermodynamic and computational studies

作者：Esmaielzadeh Sheida^*; Azimian Leila; Shekoohi Khadijeh; Esfandiari Hadi; Asadi Mozaffar; Zare Zohreh; Nejad Ayoub Rahmani; Mohammadi Khosro

来源：Inorganica Chimica Acta, 2013, 405: 155-162.

DOI：10.1016/j.ica.2013.05.001

• Nickel(II) complexes
• Unsymmetrical Schiff base
• Thermodynamic
• Computational methods

Five new unsymmetrical Schiff bases containing NNOS coordination sphere and their Ni(II) complexes, NiLX (where X = 1-5, and L-1 = methyl-2-{N-[2-(acetone)triflourolidynenitrilo]ethyliamino-1-cyclopentenedithi-ocarboxylate, L-2 = methyl-2-{N-[2-(acetone)ethylidyneni-trilolethyliamino-1-cyclopentenedithiocarboxylate, L-3 = methyl-2-{N-[2-(acetone)phenylidy-nenitrilo]ethyl}amino-1-cyclopentenedithiocarboxylate, L-4 = methyl-2-{[1-methyl-2-(ace-tone)ethylidynenitrilo]ethyl}amino-1-cyclopentenedithiocarboxylate, L-5 = methyl-2-{[1-methyl-2-(acetone)ethylidynenitrilo]propyllamino-1-cyclopentenedithiocarboxylate) were synthesized and characterized by different chemical techniques such as elemental analysis, infrared spectra, NMR, mass and UV-Vis spectroscopy. The formation constants and the thermodynamic free energies were measured using UV-Vis spectrophotometry titration for 1:1 complex formation at constant ionic strength 0.01 M (NaClO4), at 25 degrees C in DMF solvent. The trend of the complex formation of the nickel complexes is as follow: NiL2 %26gt; NiL3 %26gt; NiL1 and NiL4 %26gt; NiL2 %26gt; NiL5. Also, the GAUSSIAN03 program package was used for calculating of structural, electronic and orbital%26apos;s properties of the complexes. All calculations were done in gas phase. The DFT calculations supported the experimental formation constant.

• 出版日期2013-8-24