Ni(II), Cu(II), and Zn(II) complexes of tetradentate schiff base containing two thiadiazoles units: Structural, spectroscopic, magnetic properties, and molecular modeling studies
作者： Kerim Serbest , Hakan Kayi , Mustafa Er , Kemal Sancak , İsmail Değirmencioğlu
DOI: 10.1002/HC.20496
关键词:
摘要: Four new mononuclear metal complexes with a mononucleating Schiff base ligand containing two thiadiazoles units have been synthesized. The and were characterized by elemental analyses, IR, 1H, 13C NMR, UV–vis, ESR, electrospray ionization mass spectra, magnetic susceptibility measurements. Electronic measurement, molecular modeling studies support octahedral geometry around the Ni(II), Cu(II), Zn(II) ions. properties investigated, ferromagnetic coupling is observed in Cu(II) Ni(II) complexes. In addition, total energy heat of formation calculated for conformers semiempirical AM1 calculations shown that E,Z-isomer more stable (about 5.3 kcal/mol) than E,E- Z,Z-isomers. © 2008 Wiley Periodicals, Inc. Heteroatom Chem 19:700–712, 2008; Published online InterScience (www.interscience.wiley.com). DOI 10.1002/hc.20496
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