Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles
[EN] The hydrolysis of diethylcyanophosphonate, DCNP (a Tabun simulant) in the presence of mesoporous silica nanoparticles (MSN) has been studied in acetonitrile:water (99.5:0.5 v/v) mixtures using 31P NMR as a suitable technique to follow the DCNP hydrolysis. MSN alone was not capable to induce DCN...
| Autores: | , , , , , , , , , |
|---|---|
| Formato: | artículo |
| Fecha de publicación: | 2015 |
| País: | España |
| Recursos: | Universitat Politècnica de València (UPV) |
| Repositorio: | RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia |
| Idioma: | inglés |
| OAI Identifier: | oai:riunet.upv.es:10251/68445 |
| Acesso em linha: | https://riunet.upv.es/handle/10251/68445 |
| Access Level: | acceso abierto |
| Palavra-chave: | Nerve agent simulants Hydrolysis Mesoporous silica Nanoparticles Tabun QUIMICA INORGANICA QUIMICA ORGANICA INGENIERIA DE LA CONSTRUCCION |
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Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticlesCandel Busquets, InmaculadaCostero, Ana M.Parra Álvarez, MargaritaGIL GRAU, SALVADORGuillem, CarmenPérez, FranciscoAmoros del Toro, Pedro JoseMarcos Martínez, María Dolores|||0000-0001-7079-8589Martínez-Máñez, Ramón|||0000-0001-5873-9674Sancenón Galarza, Félix|||0000-0002-5205-7135Nerve agent simulantsHydrolysisMesoporous silicaNanoparticlesTabunQUIMICA INORGANICAQUIMICA ORGANICAINGENIERIA DE LA CONSTRUCCION[EN] The hydrolysis of diethylcyanophosphonate, DCNP (a Tabun simulant) in the presence of mesoporous silica nanoparticles (MSN) has been studied in acetonitrile:water (99.5:0.5 v/v) mixtures using 31P NMR as a suitable technique to follow the DCNP hydrolysis. MSN alone was not capable to induce DCNP hydrolysis, yet MSN in combination with the presence of the bases potassium carbonate, triethylamine or DABCO enhanced DCNP degradation. When MSN was used combined with K2CO3, a hydrolysis of ca. 95% of the initial DCNP after 60 min was observed. In the presence of DABCO, MSN was able to induce the hydrolysis of ca. 90% of DCNP after the same time. However, the DCNP hydrolysis using MSN in the presence of Et3N was lower (ca. 30%). In the absence of nanoparticles, DCNP hydrolysis reached only ca. 30% for K2CO3 and DABCO and ca. 7% for Et3N after 60 min. Moreover, kinetic studies were also carried out with the use of solids MSN-1 and MSN-2 that were obtained by reaction of MSN with K2CO3 or DABCO. After the reaction the solids were isolated by centrifugation, washed with acetonitrile and dried. MSN-1 was able to hydrolyse DCNP in a similar way to that found with the MSN-K2CO3 mixture. However, MSN-2 nanoparticles induced a very low DCNP hydrolysis. From all these studies it was found that the main product of the DCNP hydrolysis is tetraethylpyrophosphate. The presence of diethyl phosphoric acid was also observed but at very low concentration. From kinetic data a catalytic mechanism is proposedThis research was supported by the Ministerio de Educacion y Ciencia (MAT2012-38429-C04). SCSIE (Universidad de Valencia) is gratefully acknowledged for all the equipment employed.ElsevierEscuela Técnica Superior de Ingeniería Aeroespacial y Diseño IndustrialDepartamento de QuímicaEscuela Técnica Superior de Ingeniería IndustrialInstituto Interuniversitario de Investigación de Reconocimiento Molecular y Desarrollo TecnológicoMinisterio de Economía y CompetitividadRepositorio Institucional de la Universitat Politècnica de València Riunet20152015-11-15journal articlehttp://purl.org/coar/resource_type/c_6501VoRhttp://purl.org/coar/version/c_970fb48d4fbd8a85info:eu-repo/semantics/articleapplication/pdfhttps://riunet.upv.es/handle/10251/68445reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valénciainstname:Universitat Politècnica de València (UPV)InglésengMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2012-38429-C04-04 DESARROLLO DE NUEVOS SISTEMAS DE DETECCION Y ACCION BASADOS EN TECNOLOGIAS ELECTRONICAS Y MICROELECTRONICAS PARA SU APLICACION EN SISTEMAS DE LIBERACION Y DETECCION DE GASESMinisterio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2012-38429-C04-01 DESARROLLO DE MATERIALES FUNCIONALIZADOS CON PUERTAS NANOSCOPICAS PARA APLICACIONES DE LIBERACION CONTROLADA Y SENSORES PARA LA DETECCION DE NITRATO AMONICO, SULFIDRICO Y COopen accesshttp://purl.org/coar/access_right/c_abf2Reserva de todos los derechoshttp://rightsstatements.org/vocab/InC/1.0/info:eu-repo/semantics/openAccessoai:riunet.upv.es:10251/684452026-06-13T07:49:27Z |
| dc.title.none.fl_str_mv |
Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles |
| title |
Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles |
| spellingShingle |
Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles Candel Busquets, Inmaculada Nerve agent simulants Hydrolysis Mesoporous silica Nanoparticles Tabun QUIMICA INORGANICA QUIMICA ORGANICA INGENIERIA DE LA CONSTRUCCION |
| title_short |
Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles |
| title_full |
Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles |
| title_fullStr |
Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles |
| title_full_unstemmed |
Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles |
| title_sort |
Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles |
| dc.creator.none.fl_str_mv |
Candel Busquets, Inmaculada Costero, Ana M. Parra Álvarez, Margarita GIL GRAU, SALVADOR Guillem, Carmen Pérez, Francisco Amoros del Toro, Pedro Jose Marcos Martínez, María Dolores|||0000-0001-7079-8589 Martínez-Máñez, Ramón|||0000-0001-5873-9674 Sancenón Galarza, Félix|||0000-0002-5205-7135 |
| author |
Candel Busquets, Inmaculada |
| author_facet |
Candel Busquets, Inmaculada Costero, Ana M. Parra Álvarez, Margarita GIL GRAU, SALVADOR Guillem, Carmen Pérez, Francisco Amoros del Toro, Pedro Jose Marcos Martínez, María Dolores|||0000-0001-7079-8589 Martínez-Máñez, Ramón|||0000-0001-5873-9674 Sancenón Galarza, Félix|||0000-0002-5205-7135 |
| author_role |
author |
| author2 |
Costero, Ana M. Parra Álvarez, Margarita GIL GRAU, SALVADOR Guillem, Carmen Pérez, Francisco Amoros del Toro, Pedro Jose Marcos Martínez, María Dolores|||0000-0001-7079-8589 Martínez-Máñez, Ramón|||0000-0001-5873-9674 Sancenón Galarza, Félix|||0000-0002-5205-7135 |
| author2_role |
author author author author author author author author author |
| dc.contributor.none.fl_str_mv |
Escuela Técnica Superior de Ingeniería Aeroespacial y Diseño Industrial Departamento de Química Escuela Técnica Superior de Ingeniería Industrial Instituto Interuniversitario de Investigación de Reconocimiento Molecular y Desarrollo Tecnológico Ministerio de Economía y Competitividad Repositorio Institucional de la Universitat Politècnica de València Riunet |
| dc.subject.none.fl_str_mv |
Nerve agent simulants Hydrolysis Mesoporous silica Nanoparticles Tabun QUIMICA INORGANICA QUIMICA ORGANICA INGENIERIA DE LA CONSTRUCCION |
| topic |
Nerve agent simulants Hydrolysis Mesoporous silica Nanoparticles Tabun QUIMICA INORGANICA QUIMICA ORGANICA INGENIERIA DE LA CONSTRUCCION |
| description |
[EN] The hydrolysis of diethylcyanophosphonate, DCNP (a Tabun simulant) in the presence of mesoporous silica nanoparticles (MSN) has been studied in acetonitrile:water (99.5:0.5 v/v) mixtures using 31P NMR as a suitable technique to follow the DCNP hydrolysis. MSN alone was not capable to induce DCNP hydrolysis, yet MSN in combination with the presence of the bases potassium carbonate, triethylamine or DABCO enhanced DCNP degradation. When MSN was used combined with K2CO3, a hydrolysis of ca. 95% of the initial DCNP after 60 min was observed. In the presence of DABCO, MSN was able to induce the hydrolysis of ca. 90% of DCNP after the same time. However, the DCNP hydrolysis using MSN in the presence of Et3N was lower (ca. 30%). In the absence of nanoparticles, DCNP hydrolysis reached only ca. 30% for K2CO3 and DABCO and ca. 7% for Et3N after 60 min. Moreover, kinetic studies were also carried out with the use of solids MSN-1 and MSN-2 that were obtained by reaction of MSN with K2CO3 or DABCO. After the reaction the solids were isolated by centrifugation, washed with acetonitrile and dried. MSN-1 was able to hydrolyse DCNP in a similar way to that found with the MSN-K2CO3 mixture. However, MSN-2 nanoparticles induced a very low DCNP hydrolysis. From all these studies it was found that the main product of the DCNP hydrolysis is tetraethylpyrophosphate. The presence of diethyl phosphoric acid was also observed but at very low concentration. From kinetic data a catalytic mechanism is proposed |
| publishDate |
2015 |
| dc.date.none.fl_str_mv |
2015 2015-11-15 |
| dc.type.none.fl_str_mv |
journal article http://purl.org/coar/resource_type/c_6501 VoR http://purl.org/coar/version/c_970fb48d4fbd8a85 |
| dc.type.openaire.fl_str_mv |
info:eu-repo/semantics/article |
| format |
article |
| dc.identifier.none.fl_str_mv |
https://riunet.upv.es/handle/10251/68445 |
| url |
https://riunet.upv.es/handle/10251/68445 |
| dc.language.none.fl_str_mv |
Inglés eng |
| language_invalid_str_mv |
Inglés |
| language |
eng |
| dc.relation.none.fl_str_mv |
Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2012-38429-C04-04 DESARROLLO DE NUEVOS SISTEMAS DE DETECCION Y ACCION BASADOS EN TECNOLOGIAS ELECTRONICAS Y MICROELECTRONICAS PARA SU APLICACION EN SISTEMAS DE LIBERACION Y DETECCION DE GASES Ministerio de Economía y Competitividad http://dx.doi.org/10.13039/501100003329 MAT2012-38429-C04-01 DESARROLLO DE MATERIALES FUNCIONALIZADOS CON PUERTAS NANOSCOPICAS PARA APLICACIONES DE LIBERACION CONTROLADA Y SENSORES PARA LA DETECCION DE NITRATO AMONICO, SULFIDRICO Y CO |
| dc.rights.none.fl_str_mv |
open access http://purl.org/coar/access_right/c_abf2 Reserva de todos los derechos http://rightsstatements.org/vocab/InC/1.0/ |
| dc.rights.openaire.fl_str_mv |
info:eu-repo/semantics/openAccess |
| rights_invalid_str_mv |
open access http://purl.org/coar/access_right/c_abf2 Reserva de todos los derechos http://rightsstatements.org/vocab/InC/1.0/ |
| eu_rights_str_mv |
openAccess |
| dc.format.none.fl_str_mv |
application/pdf |
| dc.publisher.none.fl_str_mv |
Elsevier |
| publisher.none.fl_str_mv |
Elsevier |
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reponame:RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia instname:Universitat Politècnica de València (UPV) |
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Universitat Politècnica de València (UPV) |
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RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia |
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RiuNet. Repositorio Institucional de la Universitat Politécnica de Valéncia |
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1869420992101613568 |
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15,198674 |