Quantum confinement in hydrogen bond

dc.contributorUniversidade Estadual Paulista (Unesp)
dc.creatorSantos, Carlos da Silva dos [UNESP]
dc.creatorDrigo Filho, Elso [UNESP]
dc.creatorRicotta, Regina Maria [UNESP]
dc.date2015-10-21T13:14:20Z
dc.date2015-10-21T13:14:20Z
dc.date2015-06-15
dc.date.accessioned2023-09-12T06:41:49Z
dc.date.available2023-09-12T06:41:49Z
dc.identifierhttp://onlinelibrary.wiley.com/doi/10.1002/qua.24894/abstract
dc.identifierInternational Journal Of Quantum Chemistry, v. 115, n. 12, p. 765-770, 2015.
dc.identifier0020-7608
dc.identifierhttp://hdl.handle.net/11449/128843
dc.identifier10.1002/qua.24894
dc.identifierWOS:000354238700003
dc.identifier3277957413291567
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/8778188
dc.descriptionIn 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.
dc.descriptionIBLCE UNESP, Inst Biociencias Letras &Ciencias Exatas, Dept Fis, Sao Jose Do Rio Preto, SP, Brazil
dc.descriptionFATEC SP CEETEPS UNESP, Fac Tecnol Sao Paulo, Dept Ensino Geral, Sao Paulo, SP, Brazil
dc.descriptionIBLCE UNESP, Inst Biociencias Letras &Ciencias Exatas, Dept Fis, Sao Jose Do Rio Preto, SP, Brazil
dc.descriptionFATEC SP CEETEPS UNESP, Fac Tecnol Sao Paulo, Dept Ensino Geral, Sao Paulo, SP, Brazil
dc.format765-770
dc.languageeng
dc.publisherWiley-Blackwell
dc.relationInternational Journal Of Quantum Chemistry
dc.relation2.568
dc.relation1,003
dc.rightsAcesso restrito
dc.sourceWeb of Science
dc.subjectquantum confinement
dc.subjecthydrogen bond
dc.subjectsupersymmetric quantum mechanics
dc.subjectvariational method
dc.subjectNH and OH molecular groups
dc.titleQuantum confinement in hydrogen bond
dc.typeArtigo


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