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

Autores
Anunziata , Oscar Alfredo; Cussa, Jorgelina
Año de publicación
2023
Idioma
inglés
Tipo de recurso
artículo
Estado
versión aceptada
Descripción
A 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.
Fil: Anunziata, Oscar Alfredo. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación Nanociencia y Nanotecnología; Argentina.
Fil: Cussa, Jorgelina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación Nanociencia y Nanotecnología; Argentina.
Materia
Vibrational spectra
FTIR
TBA
CP
Nivel de accesibilidad
acceso abierto
Condiciones de uso
Attribution-NonCommercial-NoDerivatives 4.0 International
Repositorio
Repositorio Institucional Abierto (UTN)
Institución
Universidad Tecnológica Nacional
OAI Identificador
oai:ria.utn.edu.ar:20.500.12272/12258
Acceder
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oai_identifier_str oai:ria.utn.edu.ar:20.500.12272/12258
network_acronym_str RIAUTN
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network_name_str Repositorio Institucional Abierto (UTN)
spelling LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.Anunziata , Oscar AlfredoCussa, JorgelinaVibrational spectraFTIRTBACPA 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.Fil: Anunziata, Oscar Alfredo. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación Nanociencia y Nanotecnología; Argentina.Fil: Cussa, Jorgelina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación Nanociencia y Nanotecnología; Argentina.Univesidsad Tecnológica Nacional2025-02-25T22:40:39Z2023info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articulopdfapplication/pdf45th World Conference on Applied Science, Engineering y Technology 2023.http://hdl.handle.net/20.500.12272/12258enginfo:eu-repo/semantics/openAccessAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/Anunziata, Oscar Alfredo; Cussa, Jorgelina.https://creativecommons.org/licenses/by-nc-nd/4.0/reponame:Repositorio Institucional Abierto (UTN)instname:Universidad Tecnológica Nacional2026-09-24T12:43:52Zoai:ria.utn.edu.ar:20.500.12272/12258instacron:UTNInstitucionalhttp://ria.utn.edu.ar/Universidad públicaNo correspondehttp://ria.utn.edu.ar/oaigestionria@rec.utn.edu.ar; fsuarez@rec.utn.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:a2026-09-24 12:43:53.136Repositorio Institucional Abierto (UTN) - Universidad Tecnológica Nacionalfalse
dc.title.none.fl_str_mv LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
title LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
spellingShingle LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
Anunziata , Oscar Alfredo
Vibrational spectra
FTIR
TBA
CP
title_short LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
title_full LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
title_fullStr LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
title_full_unstemmed LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
title_sort LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
dc.creator.none.fl_str_mv Anunziata , Oscar Alfredo
Cussa, Jorgelina
author Anunziata , Oscar Alfredo
author_facet Anunziata , Oscar Alfredo
Cussa, Jorgelina
author_role author
author2 Cussa, Jorgelina
author2_role author
dc.subject.none.fl_str_mv Vibrational spectra
FTIR
TBA
CP
topic Vibrational spectra
FTIR
TBA
CP
dc.description.none.fl_txt_mv A 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.
Fil: Anunziata, Oscar Alfredo. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación Nanociencia y Nanotecnología; Argentina.
Fil: Cussa, Jorgelina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación Nanociencia y Nanotecnología; Argentina.
description A 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.
publishDate 2023
dc.date.none.fl_str_mv 2023
2025-02-25T22:40:39Z
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv 45th World Conference on Applied Science, Engineering y Technology 2023.
http://hdl.handle.net/20.500.12272/12258
identifier_str_mv 45th World Conference on Applied Science, Engineering y Technology 2023.
url http://hdl.handle.net/20.500.12272/12258
dc.language.none.fl_str_mv eng
language eng
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
Attribution-NonCommercial-NoDerivatives 4.0 International
http://creativecommons.org/licenses/by-nc-nd/4.0/
Anunziata, Oscar Alfredo; Cussa, Jorgelina.
https://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
rights_invalid_str_mv Attribution-NonCommercial-NoDerivatives 4.0 International
http://creativecommons.org/licenses/by-nc-nd/4.0/
Anunziata, Oscar Alfredo; Cussa, Jorgelina.
https://creativecommons.org/licenses/by-nc-nd/4.0/
dc.format.none.fl_str_mv pdf
application/pdf
dc.publisher.none.fl_str_mv Univesidsad Tecnológica Nacional
publisher.none.fl_str_mv Univesidsad Tecnológica Nacional
dc.source.none.fl_str_mv reponame:Repositorio Institucional Abierto (UTN)
instname:Universidad Tecnológica Nacional
reponame_str Repositorio Institucional Abierto (UTN)
collection Repositorio Institucional Abierto (UTN)
instname_str Universidad Tecnológica Nacional
repository.name.fl_str_mv Repositorio Institucional Abierto (UTN) - Universidad Tecnológica Nacional
repository.mail.fl_str_mv gestionria@rec.utn.edu.ar; fsuarez@rec.utn.edu.ar
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score 13.265058

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