2025-02-25202345th World Conference on Applied Science, Engineering y Technology 2023.http://hdl.handle.net/20.500.12272/12258A 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.pdfeninfo:eu-repo/semantics/openAccessAttribution-NonCommercial-NoDerivatives 4.0 Internationalhttp://creativecommons.org/licenses/by-nc-nd/4.0/Vibrational spectraFTIRTBACPinfo:eu-repo/semantics/articleAnunziata, Oscar Alfredo; Cussa, Jorgelina.https://creativecommons.org/licenses/by-nc-nd/4.0/