FT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydrate

dc.creatorMaia, JR
dc.creatorLima, JA
dc.creatorFreire, PTC
dc.creatorMendes, J
dc.creatorNogueira, CES
dc.creatorTeixeira, AMR
dc.creatorde Menezes, AS
dc.creatorRemedios, CMR
dc.creatorCardoso, LP
dc.date2013
dc.dateDEC 24
dc.date2014-07-30T17:37:15Z
dc.date2015-11-26T17:44:14Z
dc.date2014-07-30T17:37:15Z
dc.date2015-11-26T17:44:14Z
dc.date.accessioned2018-03-29T00:26:22Z
dc.date.available2018-03-29T00:26:22Z
dc.identifierJournal Of Molecular Structure. Elsevier Science Bv, v. 1054, n. 143, n. 149, 2013.
dc.identifier0022-2860
dc.identifier1872-8014
dc.identifierWOS:000327921100020
dc.identifier10.1016/j.molstruc.2013.09.042
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/67240
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/67240
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1287814
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionIn this work the Fourier transform infrared and the Raman spectra of bis(L-hisidinato)nickel(II) monohydrate were recorded at room temperature. Optimized geometry and vibrational frequencies were obtained by means of Density Functional Theory (DFT). Experimental and theoretical vibrational spectra were compared and a complete analysis of the modes was done in terms of the Potential Energy Distribution (PED). (C) 2013 Elsevier B.V. All rights reserved.
dc.description1054
dc.description143
dc.description149
dc.descriptionBrazilian agency FUNCAP
dc.descriptionBrazilian agency FAPEMA
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.descriptionConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.languageen
dc.publisherElsevier Science Bv
dc.publisherAmsterdam
dc.publisherHolanda
dc.relationJournal Of Molecular Structure
dc.relationJ. Mol. Struct.
dc.rightsfechado
dc.rightshttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dc.sourceWeb of Science
dc.subjectBis(L-histidinato)nickel(II) Monohydrate
dc.subjectAmino acid complexes
dc.subjectVibrational study
dc.subjectFT-IR spectroscopy
dc.subjectRaman spectroscopy
dc.subjectDFT calculations
dc.subjectTransform Infrared-spectrum
dc.subjectVibrational-spectra
dc.subjectMolecular-structure
dc.subjectL-asparagine
dc.subjectHistidine
dc.subjectComplex
dc.subjectCrystal
dc.subjectEnergy
dc.titleFT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydrate
dc.typeArtículos de revistas


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