Irbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra

dc.creatorFranca, Carlos Alberto
dc.creatorEtcheverry, Susana Beatriz
dc.creatorPis Diez, Reinaldo
dc.creatorWilliams, Patricia Ana María
dc.date2009-09
dc.date2023-04-13T17:51:36Z
dc.date.accessioned2023-07-15T10:09:37Z
dc.date.available2023-07-15T10:09:37Z
dc.identifierhttp://sedici.unlp.edu.ar/handle/10915/151441
dc.identifierissn:0377-0486
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7490810
dc.descriptionArterial hypertension is a very common disease, which is treated with different medications such as Irbesartan. This compound is a nonpeptide antagonist of the receptor of the enzyme angiotensin II. The infrared and Raman spectra of this compound were recorded and discussed assisted with density functional theory using the 6-31G** basis set and animated pictures. Irbesartan exists in two tautomeric forms which can be isolated in the solid state. The vibrational study has been recorded using a mixture of both forms. ¹³C, ¹⁵N and ¹H NMR theoretical studies have been performed and compared with previously reported experimental data. Theoretical calculations allowed the determination of the main features of the A and B tautomers of Irbesartan both in the vibrational studies and in the NMR spectroscopy.
dc.descriptionCentro de Química Inorgánica
dc.formatapplication/pdf
dc.format1296-1300
dc.languageen
dc.rightshttp://creativecommons.org/licenses/by/4.0/
dc.rightsCreative Commons Attribution 4.0 International (CC BY 4.0)
dc.subjectCiencias Exactas
dc.subjectQuímica
dc.subjectIrbesartan
dc.subjectFTIR spectra
dc.subjectRaman spectra
dc.subjectNMR
dc.subjectdensity functional theory
dc.titleIrbesartan: FTIR and Raman spectra : Density functional study on vibrational and NMR spectra
dc.typeArticulo
dc.typeArticulo


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