Quantum confinement in hydrogen bond

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dc.contributor.authorSantos, Carlos da Silva dos [UNESP]
dc.contributor.authorDrigo Filho, Elso [UNESP]
dc.contributor.authorRicotta, Regina Maria [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2015-10-21T13:14:20Z
dc.date.available2015-10-21T13:14:20Z
dc.date.issued2015-06-15
dc.description.abstractIn this work, the quantum confinement effect is proposed as the cause of the displacement of the vibrational spectrum of molecular groups that involve hydrogen bonds. In this approach, the hydrogen bond imposes a space barrier to hydrogen and constrains its oscillatory motion. We studied the vibrational transitions through the Morse potential, for the NH and OH molecular groups inside macromolecules in situation of confinement (when hydrogen bonding is formed) and nonconfinement (when there is no hydrogen bonding). The energies were obtained through the variational method with the trial wave functions obtained from supersymmetric quantum mechanics formalism. The results indicate that it is possible to distinguish the emission peaks related to the existence of the hydrogen bonds. These analytical results were satisfactorily compared with experimental results obtained from infrared spectroscopy. (c) 2015 Wiley Periodicals, Inc.en
dc.description.affiliationIBLCE UNESP, Inst Biociencias Letras &Ciencias Exatas, Dept Fis, Sao Jose Do Rio Preto, SP, Brazil
dc.description.affiliationFATEC SP CEETEPS UNESP, Fac Tecnol Sao Paulo, Dept Ensino Geral, Sao Paulo, SP, Brazil
dc.description.affiliationUnespIBLCE UNESP, Inst Biociencias Letras &Ciencias Exatas, Dept Fis, Sao Jose Do Rio Preto, SP, Brazil
dc.description.affiliationUnespFATEC SP CEETEPS UNESP, Fac Tecnol Sao Paulo, Dept Ensino Geral, Sao Paulo, SP, Brazil
dc.format.extent765-770
dc.identifierhttp://onlinelibrary.wiley.com/doi/10.1002/qua.24894/abstract
dc.identifier.citationInternational Journal Of Quantum Chemistry, v. 115, n. 12, p. 765-770, 2015.
dc.identifier.doi10.1002/qua.24894
dc.identifier.issn0020-7608
dc.identifier.lattes3277957413291567
dc.identifier.urihttp://hdl.handle.net/11449/128843
dc.identifier.wosWOS:000354238700003
dc.language.isoeng
dc.publisherWiley-Blackwell
dc.relation.ispartofInternational Journal Of Quantum Chemistry
dc.relation.ispartofjcr2.568
dc.relation.ispartofsjr1,003
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectquantum confinementen
dc.subjecthydrogen bonden
dc.subjectsupersymmetric quantum mechanicsen
dc.subjectvariational methoden
dc.subjectNH and OH molecular groupsen
dc.titleQuantum confinement in hydrogen bonden
dc.typeArtigo
dcterms.licensehttp://olabout.wiley.com/WileyCDA/Section/id-406071.html
dcterms.rightsHolderWiley-Blackwell
unesp.author.lattes3277957413291567
unesp.campusUniversidade Estadual Paulista (Unesp), Instituto de Biociências Letras e Ciências Exatas, São José do Rio Pretopt

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