LP-SBA-15-TBA-CP: Tert-Butylamine and Cyclophosphamide detailed study by FTIR and 3D structure.
Date
2023
Journal Title
Journal ISSN
Volume Title
Publisher
Univesidsad Tecnológica Nacional
Abstract
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.
Description
Keywords
Vibrational spectra, FTIR, TBA, CP
Citation
45th World Conference on Applied Science, Engineering y Technology 2023.
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