LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.

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dc.creatorAnunziata , Oscar Alfredo
dc.creatorCussa, Jorgelina
dc.date.accessioned2025-02-25T22:40:39Z
dc.date.issued2023
dc.description.abstractA careful study of the vibrational spectra of the host (LP-SBA-15), functionalizing agent, tert-Butylamine (TBA), and N, N-bis(2-chloroethyl)tetrahydro-2H-1,3,2- oxazaphosphorin-2-amine 2-oxide, cyclophosphamide (CP) was performed, as there is a diversity of assignments published by different authors [1-5]. Our preliminary OM studies (AM1, PM3, Density Functional Theory, application of the Fukui function), and extensive FTIR studies, we estimated the binding energies, bond lengths and bond angles of CP as well as for TBA-CP, leading us to suggest that CP is embedded in an ellipsoid.
dc.description.affiliationFil: Anunziata, Oscar Alfredo. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación Nanociencia y Nanotecnología; Argentina.
dc.description.affiliationFil: Cussa, Jorgelina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación Nanociencia y Nanotecnología; Argentina.
dc.formatpdf
dc.identifier.citation45th World Conference on Applied Science, Engineering y Technology 2023.
dc.identifier.urihttp://hdl.handle.net/20.500.12272/12258
dc.language.isoen
dc.publisherUnivesidsad Tecnológica Nacional
dc.rightsinfo:eu-repo/semantics/openAccess
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 Internationalen
dc.rights.holderAnunziata, Oscar Alfredo; Cussa, Jorgelina.
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rights.usehttps://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectVibrational spectra
dc.subjectFTIR
dc.subjectTBA
dc.subjectCP
dc.titleLP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
dc.typeinfo:eu-repo/semantics/article
dc.type.versionacceptedVersion

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