Computational and spectroscopic study of gold nanoparticles and fluoresceinamine interactions

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dc.contributor.advisorMeneses Olmedo, Lorena Maribel
dc.contributor.authorGuzmán Cárdenas, Karen Dennisse
dc.date.accessioned25/06/2025 11:01
dc.date.available25/06/2025 11:01
dc.date.issued2023
dc.description.abstractComputational Chemistry is a valuable tool to determine with precision the properties of a system to understand its viability. Thus the interaction energies of fluoresceinamine and gold clusters of 1,3,5,7 gold atoms were calculated by the DFT method B3LYP and 6-311G** and LANL2DZ basis, with the purpose of evidencing a complex formation between the fluorophore and AuNPs. The calculations demonstrate the most stable complex is formed between the 3AuNPs and the primary amine of fluoresceinamine. This is favorable because amines are present in many biological molecules. The results were corroborated by theoretical and experimental UV-Vis and IR Spectroscopy.The theoretical and experimental spectrum of the formation of the complexes was corroborated between the AuNPs and the fluorophore.en_US
dc.id.advisor1002429411
dc.id.author1722317045
dc.identifier.urihttps://repositorio.puce.edu.ec/handle/123456789/46126
dc.language.isoen
dc.publisherPUCE - Quito
dc.subjectNanopartículas - Oro
dc.subjectEspectroscopía infrarroja
dc.subjectEspectroscopía ultravioleta
dc.subjectQuímica computacional
dc.subjectFuncionales de densidad
dc.subjectFluoresceína
dc.subjectFluoresceinamina
dc.subjectGold
dc.subjectCluster
dc.subjectInteraction
dc.subjectEnergy
dc.titleComputational and spectroscopic study of gold nanoparticles and fluoresceinamine interactions
dc.typeArtículo científico
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