Co(II), Ni(II) and Cu(II) complexes of azo-aminopyrazole ligand: Spectroscopic, crystal structure and quantum chemical calculations

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dc.AffiliationOctober University for modern sciences and Arts (MSA)
dc.contributor.authorAbdel-Ghani N.T.
dc.contributor.authorMansour A.M.
dc.contributor.authorAbo El-Ghar M.F.
dc.contributor.authorEl-Borady O.M.
dc.contributor.authorShorafa H.
dc.contributor.otherChemistry Department
dc.contributor.otherFaculty of Science
dc.contributor.otherCairo University
dc.contributor.otherGamaa Street
dc.contributor.otherGiza
dc.contributor.other12613
dc.contributor.otherEgypt; Chemistry Department
dc.contributor.otherModern Science and Arts University
dc.contributor.otherOctober City
dc.contributor.otherEgypt; Institut f�r Chemie und Biochemie
dc.contributor.otherFreie Universit�t Berlin
dc.contributor.otherFabeckstrasse 34-36
dc.contributor.otherBerlin
dc.contributor.other14195
dc.contributor.otherGermany
dc.date.accessioned2020-01-09T20:41:48Z
dc.date.available2020-01-09T20:41:48Z
dc.date.issued2015
dc.descriptionScopus
dc.description.abstractReaction of 5-Methyl-4-(2-nitro-phenylazo)-2-phenyl-2H-pyrazol-3-ylamine (H<inf>2</inf>L) with Co(II), Ni(II) and Cu(II) salts affords complexes of the type [M(HL)<inf>2</inf>], which were characterized by elemental analysis, FT IR, UV-Vis, magnetic susceptibility, conductance measurements and single crystal X-ray diffraction. H<inf>2</inf>L crystallizes in a monoclinic space group C2/c, while the Cu(II) complex crystallizes in the triclinic P1�(2) space group. H<inf>2</inf>L behaves as a mono-negatively bidentate ligand via NN and NH-. Comparison between the crystal and the optimized data at DFT/B3LYP/6-31G(d) level of theory was discussed. Time-dependent DFT calculations were performed to assign the electronic spectra. The natural charge of NiII is more reduced than CoII and CuII, which suggests the higher complexation ability of H<inf>2</inf>L toward the former ion. � 2015 Published by Elsevier B.V.en_US
dc.description.urihttps://www.scimagojr.com/journalsearch.php?q=25270&tip=sid&clean=0
dc.identifier.doihttps://doi.org/10.1016/j.ica.2015.06.021
dc.identifier.doiPubMed ID :
dc.identifier.issn201693
dc.identifier.otherhttps://doi.org/10.1016/j.ica.2015.06.021
dc.identifier.otherPubMed ID :
dc.identifier.urihttps://t.ly/lW7kL
dc.language.isoEnglishen_US
dc.publisherElsevier S.A.en_US
dc.relation.ispartofseriesInorganica Chimica Acta
dc.relation.ispartofseries435
dc.subject5-Aminopyrazoleen_US
dc.subjectDyesen_US
dc.subjectMetal complexesen_US
dc.subjectNBOen_US
dc.subjectTD-DFTen_US
dc.titleCo(II), Ni(II) and Cu(II) complexes of azo-aminopyrazole ligand: Spectroscopic, crystal structure and quantum chemical calculationsen_US
dc.typeArticleen_US
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