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dc.contributor.author
González Fá, Alejandro Javier
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López Corral, Ignacio
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Faccio, Ricardo Juan
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Juan, Alfredo
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Di Nezio, Maria Susana
dc.date.available
2019-12-05T16:05:54Z
dc.date.issued
2018-07-20
dc.identifier.citation
González Fá, Alejandro Javier; López Corral, Ignacio; Faccio, Ricardo Juan; Juan, Alfredo; Di Nezio, Maria Susana; Surface enhancement Raman spectroscopy and density functional theory study of silver nanoparticles synthetized with d-glucose; John Wiley & Sons Ltd; Journal Of Raman Spectroscopy; 49; 11; 20-7-2018; 1756-1764
dc.identifier.issn
0377-0486
dc.identifier.uri
http://hdl.handle.net/11336/91491
dc.description.abstract
The role of α‐ and β‐d‐glucose, and d‐gluconate anion, acting as capping agent, on silver nanoparticles (AgNPs) was evaluated using both Raman and density functional theory studies. The particles were synthetized employing glucose, as reducing and blocking agent, in alkaline conditions. Capping agents were characterized through surface enhancement Raman spectroscopy together with modeling performed using silver clusters. Several geometries were optimized, and its energies and wavenumbers were calculated for each of them. Vibration normal modes from d‐glucose isomers and d‐gluconate were obtained and compared with those reported in bibliography, showing a satisfactory correlation. Comparison between experimental and calculated frequencies reveals a preference for d‐gluconate anion acting as capping agent under the necessary presence of d‐glucose on the surface of the AgNPs. The study of energies shows a greater affinity of d‐gluconate for the silver atoms (above −1.3 eV for both geometries) than for other configurations of the glucose molecule (about −0.66 eV in the case of α‐d‐glucose).
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
John Wiley & Sons Ltd
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
CAPPING AGENTS
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D-GLUCOSE
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DFT
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SERS
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SILVER NANOPARTICLES
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Química Analítica
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Surface enhancement Raman spectroscopy and density functional theory study of silver nanoparticles synthetized with d-glucose
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-10-23T21:32:06Z
dc.journal.volume
49
dc.journal.number
11
dc.journal.pagination
1756-1764
dc.journal.pais
Estados Unidos
dc.journal.ciudad
Hoboken
dc.description.fil
Fil: González Fá, Alejandro Javier. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Universidad Nacional del Sur. Departamento de Química; Argentina
dc.description.fil
Fil: López Corral, Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
dc.description.fil
Fil: Faccio, Ricardo Juan. Universidad de la República; Uruguay
dc.description.fil
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
dc.description.fil
Fil: Di Nezio, Maria Susana. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Química del Sur. Universidad Nacional del Sur. Departamento de Química. Instituto de Química del Sur; Argentina
dc.journal.title
Journal Of Raman Spectroscopy
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://onlinelibrary.wiley.com/doi/abs/10.1002/jrs.5466
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/jrs.5466
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