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https://hdl.handle.net/10316/5040| Title: | Infrared spectroscopy of racemic and enantiomeric forms of atenolol | Authors: | Castro, R. A. Esteves de Canotilho, João Barbosa, Rui M. Redinha, J. Simões |
Keywords: | Atenolol; [beta]-Blockers; Chiral drugs; IR spectroscopy; Conformational isomorphism | Issue Date: | 2007 | Citation: | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy. 67:5 (2007) 1194-1200 | Abstract: | The molecular structure of conformational isomorphs given by X-ray diffraction for racemic and enantiomeric atenolol were optimized at the HF/6-31G* level of theory and the infrared spectra of the structure were calculated. These spectra are used to characterize the differences between the various atenolol conformers. | URI: | https://hdl.handle.net/10316/5040 | DOI: | 10.1016/j.saa.2006.10.007 | Rights: | openAccess |
| Appears in Collections: | FCTUC Química - Artigos em Revistas Internacionais |
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| file4d9d5ab853364c37a224d9fd20e924b3.pdf | 290.67 kB | Adobe PDF | View/Open |
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