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Vibrational spectroscopic study of terbutaline hemisulphate

dc.contributor.authorAli, H.R.H.*
dc.contributor.authorEdwards, Howell G.M.*
dc.contributor.authorKendrick, John*
dc.contributor.authorScowen, Ian J.*
dc.date.accessioned2011-01-20T15:38:58Z
dc.date.available2011-01-20T15:38:58Z
dc.date.issued2009-05-01
dc.identifier.citationAli HRH, Edwards HGM, Kendrick J and Scowen IJ (2009) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 72(4): 715-719.
dc.identifier.urihttp://hdl.handle.net/10454/4736
dc.descriptionNo
dc.description.abstractThe Raman spectrum of terbutaline hemisulphate is reported for the first time, and molecular assignments are proposed on the basis of ab initio BLYP DFT calculations with a 6-31G* basis set and vibrational frequencies predicted within the quasi-harmonic approximation; these predictions compare favourably with the observed vibrational spectra. Comparison with previously published infrared data explains several spectral features. The results from this study provide data that can be used for the preparative process monitoring of terbutaline hemisulphate, an important ß2 agonist drug in various dosage forms and its interaction with excipients and other components.
dc.language.isoen
dc.subjectInfrared spectroscopy
dc.subjectRaman spectroscopy
dc.subjectQuantum mechanics
dc.subjectTerbutaline hemisulphate
dc.subjectß2 agonist
dc.subjectAb initio structural calculations
dc.titleVibrational spectroscopic study of terbutaline hemisulphate
dc.status.refereedYes
dc.typeArticle
dc.identifier.JournalTitleSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Volume 72, Issue 4, May 2009, Pages 715-719en
dc.type.versionNo full-text in the repository
dc.identifier.doihttps://doi.org/10.1016/j.saa.2008.11.003
dc.openaccess.statusclosedAccess


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