Comprehensive kinetics of hydrolysis of organotriethoxysilanes by 29Si NMR

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dc.contributor.authorMoriones Jiménez, Paula
dc.contributor.authorArzamendi Manterola, Gurutze
dc.contributor.authorCornejo Ibergallartu, Alfonso
dc.contributor.authorGarrido Segovia, Julián José
dc.contributor.authorEcheverría Morrás, Jesús
dc.contributor.departmentCienciases_ES
dc.contributor.departmentZientziakeu
dc.contributor.departmentInstitute for Advanced Materials and Mathematics - INAMAT2en
dc.date.accessioned2024-01-17T18:16:34Z
dc.date.available2024-01-17T18:16:34Z
dc.date.issued2019
dc.date.updated2024-01-17T17:54:40Z
dc.description.abstractThe kinetics of several representative hybrid precursors were studied via 29Si NMR: three alkyl precursors, methyltriethoxysilane, ethyltriethoxysilane, and propyltriethoxysilane; as well as two unsaturated radicals, vinyltriethoxysilane and phenyltriethoxysilane. The reaction rate is related to the chemical shift of 29Si in the NMR spectra, which gives information about the electronic density of the Si atoms and the inductive effects of substituents. The concentration of the precursors decreased exponentially with time, and the intermediate products of hydrolysis and the beginning of the condensation reactions showed curves characteristic of sequential reactions, with a similar distribution of the species as a function of the fractional conversion. For all of the precursors, condensation started when the most hydrolyzed species reached a maximum concentration of 0.30 M, when the precursor had run out. A prediction following the developed mathematical model fits the experimental results in line with a common pathway described by eight parameters.en
dc.description.sponsorshipThis work was supported by “Ministerio de Economía,Industria y Competitividad” (MAT2016-78155-C2-2-R). P.M. is thankful to the “Departamento de Industria y Tecnología, Comercio y Trabajo” of the Government of Navarre for a fellowship.en
dc.format.mimetypeapplication/pdfen
dc.identifier.citationMoriones, P., Arzamendi, G., Cornejo, A., Garrido, J.J., Echeverria, J.C. (2019) Comprehensive Kinetics of Hydrolysis of Organotriethoxysilanes by 29Si NMR. Journal of Physical Chemistry A, 123(48), 10364-10371. https://doi.org/10.1021/acs.jpca.9b08910.en
dc.identifier.doi10.1021/acs.jpca.9b08910
dc.identifier.issn1089-5639
dc.identifier.urihttps://academica-e.unavarra.es/handle/2454/47068
dc.language.isoengen
dc.publisherAmerican Chemical Societyen
dc.relation.ispartofJournal of Physical Chemistry A 2019, 123 (48), 10364–10371en
dc.relation.projectIDinfo:eu-repo/grantAgreement/MINECO//MAT2016-78155-C2-2-R/
dc.relation.publisherversionhttps://doi.org/10.1021/acs.jpca.9b08910
dc.rights© 2019 American Chemical Societyen
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.subject29Si NMRen
dc.subjectHydrolisisen
dc.subjectOrganotriethoxysilanesen
dc.titleComprehensive kinetics of hydrolysis of organotriethoxysilanes by 29Si NMRen
dc.typeinfo:eu-repo/semantics/article
dc.type.versioninfo:eu-repo/semantics/acceptedVersion
dspace.entity.typePublication
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relation.isAuthorOfPublication98a41161-79b6-4c0e-b6a2-9cb1c5b214ea
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relation.isAuthorOfPublication.latestForDiscoverya287a485-ae61-4895-850d-12a72a80db2a

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