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dc.contributor.CRUESPUniversidade Estadual de Campinaspt_BR
dc.typeArtigo de periódicopt_BR
dc.titleFT-IR and Raman spectra and DFT calculations on bis(L-histidinato)nickel(II) monohydratept_BR
dc.contributor.authorMaia, JRpt_BR
dc.contributor.authorLima, JApt_BR
dc.contributor.authorFreire, PTCpt_BR
dc.contributor.authorMendes, Jpt_BR
dc.contributor.authorNogueira, CESpt_BR
dc.contributor.authorTeixeira, AMRpt_BR
dc.contributor.authorde Menezes, ASpt_BR
dc.contributor.authorRemedios, CMRpt_BR
dc.contributor.authorCardoso, LPpt_BR
unicamp.author.emailcarlos.emidio@globo.compt_BR
unicamp.authorMaia, J. R. Lima, J. A., Jr. Freire, P. T. C. Mendes Filho, J. Univ Fed Ceara, Dept Fis, BR-60455760 Fortaleza, Ceara, Brazilpt_BR
unicamp.authorNogueira, C. E. S. Teixeira, A. M. R. Univ Reg Cariri, Dept Fis, BR-63010970 Juazeiro Do Norte, CE, Brazilpt_BR
unicamp.authorde Menezes, A. S. Univ Fed Maranhao, CCET, Dept Fis, Ctr Tecnol, BR-65085580 Sao Luis, MA, Brazilpt_BR
unicamp.authorRemedios, C. M. R. Univ Fed Para, Inst Ciencias Exatas & Nat, BR-66075110 Belem, Para, Brazilpt_BR
unicamp.authorCardoso, L. P. Univ Estadual Campinas, Inst Fis Gleb Wataghin, BR-13083859 Campinas, SP, Brazilpt_BR
dc.subjectBis(L-histidinato)nickel(II) Monohydratept_BR
dc.subjectAmino acid complexespt_BR
dc.subjectVibrational studypt_BR
dc.subjectFT-IR spectroscopypt_BR
dc.subjectRaman spectroscopypt_BR
dc.subjectDFT calculationspt_BR
dc.subject.wosTransform Infrared-spectrumpt_BR
dc.subject.wosVibrational-spectrapt_BR
dc.subject.wosMolecular-structurept_BR
dc.subject.wosL-asparaginept_BR
dc.subject.wosHistidinept_BR
dc.subject.wosComplexpt_BR
dc.subject.wosCrystalpt_BR
dc.subject.wosEnergypt_BR
dc.description.abstractIn 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.pt
dc.relation.ispartofJournal Of Molecular Structurept_BR
dc.relation.ispartofabbreviationJ. Mol. Struct.pt_BR
dc.publisher.cityAmsterdampt_BR
dc.publisher.countryHolandapt_BR
dc.publisherElsevier Science Bvpt_BR
dc.date.issued2013pt_BR
dc.date.monthofcirculationDEC 24pt_BR
dc.identifier.citationJournal Of Molecular Structure. Elsevier Science Bv, v. 1054, n. 143, n. 149, 2013.pt_BR
dc.language.isoenpt_BR
dc.description.volume1054pt_BR
dc.description.initialpage143pt_BR
dc.description.lastpage149pt_BR
dc.rightsfechadopt_BR
dc.rights.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policypt_BR
dc.sourceWeb of Sciencept_BR
dc.identifier.issn0022-2860pt_BR
dc.identifier.eissn1872-8014pt_BR
dc.identifier.wosidWOS:000327921100020pt_BR
dc.identifier.doi10.1016/j.molstruc.2013.09.042pt_BR
dc.description.sponsorshipBrazilian agency FUNCAPpt_BR
dc.description.sponsorshipBrazilian agency FAPEMApt_BR
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)pt_BR
dc.description.sponsorship1Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)pt_BR
dc.date.available2014-07-30T17:37:15Z
dc.date.available2015-11-26T17:44:14Z-
dc.date.accessioned2014-07-30T17:37:15Z
dc.date.accessioned2015-11-26T17:44:14Z-
dc.description.provenanceMade available in DSpace on 2014-07-30T17:37:15Z (GMT). No. of bitstreams: 0 Previous issue date: 2013en
dc.description.provenanceMade available in DSpace on 2015-11-26T17:44:14Z (GMT). No. of bitstreams: 0 Previous issue date: 2013en
dc.identifier.urihttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/67240
dc.identifier.urihttp://repositorio.unicamp.br/jspui/handle/REPOSIP/67240-
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