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Infrared Spectroscopy of Racemic and Enantiomeric Forms of Atenolol by R.A. Esteves de Castro; João Canotilho; Rui M. Barbosa; J. Simões Redinha is a Chemistry article available to read on EtoBox.

What is Infrared Spectroscopy of Racemic and Enantiomeric Forms of Atenolol about?

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. The spectra of the (R,S)- and S-atenolol solid forms were recorded and the bands corresponding to the functional groups identified with the aid of the calculated spectra, fitting analysis, temperature effect and H/D isotopic exchange. Particular attention was paid to the stretch vibration modes of the functional groups present in the atenolol.

Who reads Infrared Spectroscopy of Racemic and Enantiomeric Forms of Atenolol?

Author

R.A. Esteves de Castro; João Canotilho; Rui M. Barbosa; J. Simões Redinha

Publisher

Elsevier Science; Elsevier ; Elsevier Ltd.; Pergamon Press Ltd.; Elsevier BV (ISSN 1386-1425)

Published

2007

Language

EN

Field

Chemistry (Physical Sciences)