(Univesidsad Tecnológica Nacional, 2023) Anunziata , Oscar Alfredo; Cussa, Jorgelina
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.
