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

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.

Endorsement

Review

Supplemented By

Referenced By

Creative Commons license

Except where otherwised noted, this item's license is described as info:eu-repo/semantics/openAccess