Metal complexes of a pentadentate N2O3 bis(semicarbazone) Schiff-base. A case study of structure-spectroscopy correlation

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dc.creatorInoue, Mayara Hissami
dc.creatorRibeiro, Ronny Rocha
dc.creatorSabino, Jose Ricardo
dc.creatorNunes, Fabio Souza
dc.date.accessioned2024-01-23T14:19:50Z
dc.date.available2024-01-23T14:19:50Z
dc.date.issued2016
dc.description.abstractSchiff condensation of 2,6-diformyl 4-methylphenol with semicarbazide hydrochloride in 1:2 molar ratio produces the bis(semicarbazone) ligand, herein called H3L. A comprehensive spectroscopic analysis of the compound was performed by 1H and 13C NMR, FTIR and electronic spectroscopies. Assignments to the UV–vis spectrum of H3L were supported by semi-empirical quantum mechanics ZINDO/S calculations. The ligand H3L forms monoclinic crystals in the space group P21/c and its structure is stabilized by classic hydrogen bonds with propanone molecules. It promptly reacts with first row metal ions to produce the following coordination compounds: [Co2(L)(μ-NO3)]·DMF, [Ni2(H2L)(μ-CH3COO)(CH3COO)2]·2H2O, [Cu2(L)(μ-NO3)(H2O)2]·H2O, [Cu2(L)(μ-CH3COO)(H2O)2]·H2O and [Cu2(H2L)(μ-Cl)Cl2]·3H2O, that have different compositions, depending on the degree of deprotonation of the ligand upon coordination. Electronic and EPR spectroscopies as well as effective magnetic moment measurements of the complexes were used in an attempt to better understand their mode of coordination, the microsymmetry around the metal ions and magnetic properties.
dc.identifier.citationINOUE, Mayara Hissami et al. Metal complexes of a pentadentate N2O3 bis(semicarbazone) Schiff-base. A case study of structure-spectroscopy correlation. Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, Oxford, v. 164, p. 76-83, 2016. DOI: 10.1016/j.saa.2016.03.024. Disponível em: https://www.sciencedirect.com/science/article/pii/S1386142516301263?via%3Dihub. Acesso em: 23 jan. 2024.
dc.identifier.doi10.1016/j.saa.2016.03.024
dc.identifier.issn1386-1425
dc.identifier.issne- 1873-3557
dc.identifier.urihttps://www.sciencedirect.com/science/article/pii/S1386142516301263?via%3Dihub
dc.language.isoeng
dc.publisher.countryHolanda
dc.publisher.departmentInstituto de Física - IF (RMG)
dc.rightsAcesso Restrito
dc.subject2,6-Diformyl-4-methylphenol semicarbazone
dc.subjectNMR, electronic and EPR spectroscopies
dc.subjectZINDO/S
dc.subjectCrystal structure
dc.subjectMagnetic moments
dc.titleMetal complexes of a pentadentate N2O3 bis(semicarbazone) Schiff-base. A case study of structure-spectroscopy correlation
dc.typeArtigo

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