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2013 | 11 | 11 | 1844-1851
Tytuł artykułu

New 5-bromo-2-hydroxybenzaldehyde S-ethylisothiosemicarbazone and its mixed-ligand Cu(II) complex with imidazole: synthesis, characterization and DFT calculation

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
A new Schiff base ligand of 5-bromo-2-hydroxybenzaldehyde S-ethyl-isothiosemicarbazone (H2L) was synthesized and its mixed-ligand Cu(II) complex was also prepared by reaction of Cu(NO3)2·3H2O with H2L and imidazole. Their structures were fully characterized by elemental analysis, FT-IR, molar conductivity and UV-Vis methods. The analytical data suggest that the metal, H2L and imidazole ratios in the Schiff base complex are 1:1:1. Single crystal diffraction was also used to better understand the molecular structure of the Cu(II) complex. The results of physico-chemical analyses of the Schiff base complex reveal the coordination geometry around the central atom is square planar. The H2L ligand (NNO donor) is coordinated to the metal center as a tridentate bionegatively agent. Another position of the square planar geometry is occupied by the imidazole ligand. Furthermore, computational studies of the new complex were performed by carrying out DFT calculations. Geometry optimization and natural band analysis of the complex is discussed in further detail. [...]
Wydawca

Czasopismo
Rocznik
Tom
11
Numer
11
Strony
1844-1851
Opis fizyczny
Daty
wydano
2013-11-01
online
2013-08-25
Twórcy
autor
  • Department of Chemistry, School of Sciences, Ferdowsi University of Mashhad, Mashhad, 91775-1436, Iran, r.takjoo@um.ac.ir
  • Department of Chemistry, Payame Noor University (PNU), 19395-4697, Tehran, Iran
autor
  • Department of Chemistry, Payame Noor University (PNU), 19395-4697, Tehran, Iran
autor
  • Department of Chemistry, Isfahan University of Technology, Isfahan, 84156-83111, Iran
  • Department of Inorganic Chemistry, Analytical Chemistry and Physical Chemistry, University of Messina, Salita Sperone, 98199, Messina, Italy
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11532-013-0313-5
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