Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering
Autor(a) principal: | |
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Data de Publicação: | 2016 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UNESP |
Texto Completo: | http://dx.doi.org/10.1016/j.jcis.2015.11.045 http://hdl.handle.net/11449/165027 |
Resumo: | Surface-Enhanced Raman Spectra (SERS) of methyl N-(1H-benzimidazol-2-yl)carbamate (MBC), usually named carbendazim, have been recorded on silver colloids at different pH values. In order to identify the neutral, protonated or deprotonated species of MBC that originate the SERS, the vibrational wavenumbers of these three isolated forms and linked to a silver atom have been predicted by carrying out DFT calculations. The results indicate that the active SERS species in the studied pH range correspond to the neutral MBC and its deprotonated ion in the amidate form. According to theoretical calculations, neutral MBC is linked to the metal through the imidazolic nitrogen atom, while the deprotonated MBC could be linked through the imidazolic nitrogen together with the amidic nitrogen atom or the carbonyl oxygen atom. Both adsorbed species, neutral and deprotonated, have the benzimidazolic ring orientated almost perpendicular to the silver surface and no molecular reorientation has been detected. pH of the bulk controls the relative abundance of the neutral MBC and its amidate anion which can be monitored through the intensities of the SERS bands recorded at about 1230 and 1270 cm(-1). These two key bands correspond to the in-plane NH deformation of amidic and imidazolic groups, respectively. (C) 2015 Elsevier Inc. All rights reserved. |
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Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scatteringSERS spectroscopyAdsorption on colloidal suspensionCarbendazimSurface-Enhanced Raman Spectra (SERS) of methyl N-(1H-benzimidazol-2-yl)carbamate (MBC), usually named carbendazim, have been recorded on silver colloids at different pH values. In order to identify the neutral, protonated or deprotonated species of MBC that originate the SERS, the vibrational wavenumbers of these three isolated forms and linked to a silver atom have been predicted by carrying out DFT calculations. The results indicate that the active SERS species in the studied pH range correspond to the neutral MBC and its deprotonated ion in the amidate form. According to theoretical calculations, neutral MBC is linked to the metal through the imidazolic nitrogen atom, while the deprotonated MBC could be linked through the imidazolic nitrogen together with the amidic nitrogen atom or the carbonyl oxygen atom. Both adsorbed species, neutral and deprotonated, have the benzimidazolic ring orientated almost perpendicular to the silver surface and no molecular reorientation has been detected. pH of the bulk controls the relative abundance of the neutral MBC and its amidate anion which can be monitored through the intensities of the SERS bands recorded at about 1230 and 1270 cm(-1). These two key bands correspond to the in-plane NH deformation of amidic and imidazolic groups, respectively. (C) 2015 Elsevier Inc. All rights reserved.Spanish MINECOJunta de AndaluciaCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Univ Estadual Paulista, FCT, Presidente Prudente, SP, BrazilCSIC, Inst Estruct Mat, E-28006 Madrid, SpainUniv Malaga, Dept Phys Chem, Fac Sci, Unidad Asociada CSIC, E-29071 Malaga, SpainUniv Estadual Paulista, FCT, Presidente Prudente, SP, BrazilSpanish MINECO: CTQ2012-31846Spanish MINECO: FIS2014-52212-RJunta de Andalucia: FQM-5156Junta de Andalucia: 6778Elsevier B.V.Universidade Estadual Paulista (Unesp)CSICUniv MalagaFurini, L. N. [UNESP]Constantino, C. J. L. [UNESP]Sanchez-Cortes, S.Otero, J. C.Lopez-Tocon, I.2018-11-27T06:00:18Z2018-11-27T06:00:18Z2016-03-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/article183-189application/pdfhttp://dx.doi.org/10.1016/j.jcis.2015.11.045Journal Of Colloid And Interface Science. San Diego: Academic Press Inc Elsevier Science, v. 465, p. 183-189, 2016.0021-9797http://hdl.handle.net/11449/16502710.1016/j.jcis.2015.11.045WOS:000367770100023WOS000367770100023.pdfWeb of Sciencereponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengJournal Of Colloid And Interface Science1,221info:eu-repo/semantics/openAccess2023-10-11T06:09:30Zoai:repositorio.unesp.br:11449/165027Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestopendoar:29462023-10-11T06:09:30Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false |
dc.title.none.fl_str_mv |
Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering |
title |
Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering |
spellingShingle |
Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering Furini, L. N. [UNESP] SERS spectroscopy Adsorption on colloidal suspension Carbendazim |
title_short |
Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering |
title_full |
Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering |
title_fullStr |
Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering |
title_full_unstemmed |
Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering |
title_sort |
Adsorption of carbendazim pesticide on plasmonic nanoparticles studied by surface-enhanced Raman scattering |
author |
Furini, L. N. [UNESP] |
author_facet |
Furini, L. N. [UNESP] Constantino, C. J. L. [UNESP] Sanchez-Cortes, S. Otero, J. C. Lopez-Tocon, I. |
author_role |
author |
author2 |
Constantino, C. J. L. [UNESP] Sanchez-Cortes, S. Otero, J. C. Lopez-Tocon, I. |
author2_role |
author author author author |
dc.contributor.none.fl_str_mv |
Universidade Estadual Paulista (Unesp) CSIC Univ Malaga |
dc.contributor.author.fl_str_mv |
Furini, L. N. [UNESP] Constantino, C. J. L. [UNESP] Sanchez-Cortes, S. Otero, J. C. Lopez-Tocon, I. |
dc.subject.por.fl_str_mv |
SERS spectroscopy Adsorption on colloidal suspension Carbendazim |
topic |
SERS spectroscopy Adsorption on colloidal suspension Carbendazim |
description |
Surface-Enhanced Raman Spectra (SERS) of methyl N-(1H-benzimidazol-2-yl)carbamate (MBC), usually named carbendazim, have been recorded on silver colloids at different pH values. In order to identify the neutral, protonated or deprotonated species of MBC that originate the SERS, the vibrational wavenumbers of these three isolated forms and linked to a silver atom have been predicted by carrying out DFT calculations. The results indicate that the active SERS species in the studied pH range correspond to the neutral MBC and its deprotonated ion in the amidate form. According to theoretical calculations, neutral MBC is linked to the metal through the imidazolic nitrogen atom, while the deprotonated MBC could be linked through the imidazolic nitrogen together with the amidic nitrogen atom or the carbonyl oxygen atom. Both adsorbed species, neutral and deprotonated, have the benzimidazolic ring orientated almost perpendicular to the silver surface and no molecular reorientation has been detected. pH of the bulk controls the relative abundance of the neutral MBC and its amidate anion which can be monitored through the intensities of the SERS bands recorded at about 1230 and 1270 cm(-1). These two key bands correspond to the in-plane NH deformation of amidic and imidazolic groups, respectively. (C) 2015 Elsevier Inc. All rights reserved. |
publishDate |
2016 |
dc.date.none.fl_str_mv |
2016-03-01 2018-11-27T06:00:18Z 2018-11-27T06:00:18Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://dx.doi.org/10.1016/j.jcis.2015.11.045 Journal Of Colloid And Interface Science. San Diego: Academic Press Inc Elsevier Science, v. 465, p. 183-189, 2016. 0021-9797 http://hdl.handle.net/11449/165027 10.1016/j.jcis.2015.11.045 WOS:000367770100023 WOS000367770100023.pdf |
url |
http://dx.doi.org/10.1016/j.jcis.2015.11.045 http://hdl.handle.net/11449/165027 |
identifier_str_mv |
Journal Of Colloid And Interface Science. San Diego: Academic Press Inc Elsevier Science, v. 465, p. 183-189, 2016. 0021-9797 10.1016/j.jcis.2015.11.045 WOS:000367770100023 WOS000367770100023.pdf |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Journal Of Colloid And Interface Science 1,221 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
183-189 application/pdf |
dc.publisher.none.fl_str_mv |
Elsevier B.V. |
publisher.none.fl_str_mv |
Elsevier B.V. |
dc.source.none.fl_str_mv |
Web of Science reponame:Repositório Institucional da UNESP instname:Universidade Estadual Paulista (UNESP) instacron:UNESP |
instname_str |
Universidade Estadual Paulista (UNESP) |
instacron_str |
UNESP |
institution |
UNESP |
reponame_str |
Repositório Institucional da UNESP |
collection |
Repositório Institucional da UNESP |
repository.name.fl_str_mv |
Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP) |
repository.mail.fl_str_mv |
|
_version_ |
1799964525349306368 |