dc.contributorUniversidade Estadual Paulista (Unesp)
dc.contributorUniversidade Estadual de Ponta Grossa (UEPG)
dc.date.accessioned2014-05-27T11:19:51Z
dc.date.available2014-05-27T11:19:51Z
dc.date.created2014-05-27T11:19:51Z
dc.date.issued1999-12-01
dc.identifierSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, v. 55, n. 6, p. 1185-1191, 1999.
dc.identifier1386-1425
dc.identifierhttp://hdl.handle.net/11449/66026
dc.identifier10.1016/S1386-1425(98)00274-1
dc.identifierWOS:000080050400005
dc.identifier2-s2.0-9344226131
dc.description.abstractChemical characterization as well as spectroscopical study of the L-histidine-europium(III) complex were developed both experimental and theoretically. Molecular mechanics (MM) simulation was performed in order to have indication of the compound structure and the Eu 3+ chemical environment. The Simple Overlap Model (SOM) was applied to predict spectroscopic quantities as 5D 0→ 7F 0/ 5D 0→ 7F 2 intensity ratio, 5D 0→ 7F 1 transition splitting and the intensity Ω λ parameters (λ = 2 and 4). Satisfactory results are obtained with 0.1 and 2/3 as the effective charges of the nitrogen (gN) and oxygen (gO) respectively, and their polarizabilities (α) depend on the distance. © 1999 Elsevier Science B.V. All rights reserved.
dc.languageeng
dc.relationSpectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
dc.relation2.880
dc.relation0,648
dc.rightsAcesso restrito
dc.sourceScopus
dc.subjectEuropium
dc.subjectHistidine
dc.subjectLuminescence
dc.subjectMolecular mechanics
dc.subjectSimple overlap model
dc.subjectSpectroscopy
dc.titleL-Histidine-europium(III) complex: A spectroscopical study
dc.typeArtículos de revistas


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