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Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles

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Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles

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dc.contributor.author Candel Busquets, Inmaculada es_ES
dc.contributor.author Marcos Martínez, María Dolores es_ES
dc.contributor.author Martínez-Máñez, Ramón es_ES
dc.contributor.author Sancenón Galarza, Félix es_ES
dc.contributor.author Costero, Ana M. es_ES
dc.contributor.author Parra Álvarez, Margarita es_ES
dc.contributor.author GIL GRAU, SALVADOR es_ES
dc.contributor.author Guillem, Carmen es_ES
dc.contributor.author Pérez, Francisco es_ES
dc.contributor.author Amoros del Toro, Pedro Jose es_ES
dc.date.accessioned 2016-07-29T10:18:20Z
dc.date.available 2016-07-29T10:18:20Z
dc.date.issued 2015-11-15
dc.identifier.issn 1387-1811
dc.identifier.uri http://hdl.handle.net/10251/68445
dc.description.abstract [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 es_ES
dc.description.sponsorship This 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. en_EN
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation Ministerio de Educacion y Ciencia MAT2012-38429-C04 es_ES
dc.relation.ispartof Microporous and Mesoporous Materials es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Nerve agent simulants es_ES
dc.subject Hydrolysis es_ES
dc.subject Mesoporous silica es_ES
dc.subject Nanoparticles es_ES
dc.subject Tabun es_ES
dc.subject.classification QUIMICA INORGANICA es_ES
dc.subject.classification QUIMICA ORGANICA es_ES
dc.subject.classification INGENIERIA DE LA CONSTRUCCION es_ES
dc.title Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.micromeso.2015.05.041
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto de Reconocimiento Molecular y Desarrollo Tecnológico - Institut de Reconeixement Molecular i Desenvolupament Tecnològic es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Química - Departament de Química es_ES
dc.description.bibliographicCitation Candel Busquets, I.; Marcos Martínez, MD.; Martínez-Máñez, R.; Sancenón Galarza, F.; Costero, AM.; Parra Álvarez, M.; Gil Grau, S.... (2015). Hydrolysis of DCNP (a Tabun mimic) catalyzed by mesoporous silica nanoparticles. Microporous and Mesoporous Materials. 217:30-38. doi:10.1016/j.micromeso.2015.05.041 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://dx.doi.org/10.1016/j.micromeso.2015.05.041 es_ES
dc.description.upvformatpinicio 30 es_ES
dc.description.upvformatpfin 38 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 217 es_ES
dc.relation.senia 294221 es_ES
dc.identifier.eissn 1873-3093


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