Ali, H.R.H.Edwards, Howell G.M.Kendrick, JohnScowen, Ian J.2011-01-202011-01-202009-05-01Ali HRH, Edwards HGM, Kendrick J and Scowen IJ (2009) Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 72(4): 715-719.http://hdl.handle.net/10454/4736NoThe 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.enInfrared spectroscopyRaman spectroscopyQuantum mechanicsTerbutaline hemisulphateß2 agonistAb initio structural calculationsArticleSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Volume 72, Issue 4, May 2009, Pages 715-719https://doi.org/10.1016/j.saa.2008.11.003