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Study of Nα-benzoyl-L-argininate ethyl ester chloride, a model compound for pol...
Fonseca, A. C.; Jarmelo, S.; Silva, M. Ramos; Beja, A. M. Matos; Fausto, R.; Gil, M. H.; Simões, P. N.Poly(ester amide)s (PEAs) are lacking in structural and spectroscopic information. This paper reports a structural and spectroscopic characterization of Nα-benzoyl-L-argininate ethyl ester chloride (BAEEH+·Cl−), an important amino acid derivative and an adequate PEAs’ model compound. Crystals of BAEEH+·Cl− obtained by slow evaporation in an ethanol/water mixture were studied by different complementary technique...
Low-Temperature FTIR Spectroscopic and Theoretical Study on an Energetic Nitroi...
Simões, P. N.; Reva, I.; Pedroso, L. M.; Fausto, R.; Portugal, A. A.This paper presents an overview of recent progress in spectroscopic studies of the energetic nitroimine 4,6-bis(nitroimino)-1,3,5-triazinan-2-one (DNAM), based on experimental and theoretical data. The following topics are considered: variable temperature FTIR spectroscopy (4000−400 cm-1) applied to the study of natural and isotopically substituted (deuterated) samples aiming to obtain a successful vibrational...
Thermal characterization of poly(vinyl chloride) samples prepared by living rad...
Coelho, Jorge F. J.; Simões, P. N.; Mendonça, Patrícia V.; Fonseca, A. C.; Gil, M. H.Poly(vinyl chloride) (PVC) samples were synthesized by a living radical polymerization (LRP) method and compared with commercial PVC prepared by the conventional free radical polymerization (FRP). The differences were assessed, for the first time, in terms of viscosimetry parameters and thermal analysis. The LRP method used to prepare the PVC-LRP samples is the only one available to obtain this polymer free of ...
Crystal and Molecular Structure of 4,6-Bis(nitroimino)-1,3,5-triazinan-2-one: ...
Simões, P. N.; Pedroso, L. M.; Beja, A. M. Matos; Silva, M. Ramos; MacLean, Elizabeth; Portugal, A. A.This paper provides an overview of recent progress on structural data on the title compound. Theoretical work based on quantum mechanical calculations was performed to gain some understanding on the heterocyclic tautomerism potentially exhibited by the compound. The computational studies encompassed a wide range of tautomers/conformers, allowing the determination of the most probable molecular structure. In the...
Thermal decomposition of solid mixtures of 2-oxy-4,6-dinitramine-s-triazine (DN...
Simões, P. N.; Pedroso, L. M.; Portugal, A. A.; Campos, J. L.The thermal decomposition of solid mixtures of 2-oxy-4,6-dinitramine-s-triazine (DNAM) and phase stabilized ammonium nitrate (PSAN) at different mass ratios has been studied. Simultaneous thermal analysis (DSC/TG) and thermomicroscopy have been used. It was found that PSAN promotes the lowering of the decomposition temperature of DNAM. The beginning of this process occurs when both components are in the solid s...
Study of the decomposition of phase stabilized ammonium nitrate (PSAN) by simul...
Simões, P. N.; Pedroso, L. M.; Portugal, A. A.; Campos, J. L.Ammonium nitrate (AN) has been extensively used both in explosive and propellant formulations. Unlike AN, there is a lack of information about the thermal decomposition and related kinetic analysis of phase stabilized ammonium nitrate (PSAN). Simultaneous thermal analysis (DSC-TG) has been used in the thermal characterisation of a specific type of PSAN containing 1.0% of NiO (stabilizing agent) and 0.5% of Petr...
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