CENTRO DE QUIMICA INORGANICA "DR. PEDRO J. AYMONINO"
Unidad Ejecutora - UE
Comment on Molecular Structure analysis and Spectroscopic Characterization of Carbimazole with experimental (FT-IR, FT-Raman and UV-Vis) techniques and quantum chemical calculations
ERBEN, MAURICIO FEDERICO
JOURNAL OF MOLECULAR STRUCTURE
ELSEVIER SCIENCE BV
Lugar: Amsterdam; Año: 2014 vol. 1056 p. 216 - 216
The title paper  reports the analysis of the vibrational spectra (infrared and Raman) of solid carbimazole based on the computed molecular structure for a rather unusual conformer. The optimized structure does agree neither with the reported crystallographic data nor with previous vibrational studies omitted in . Here, after a careful analysis of the onformational space, the proper molecular structure of carbimazole has been calculated and the vibrational spectra have been analyzed. These results are in agreement with the available experimental data.