INVESTIGADORES
PAEZ JEREZ ana laura
artículos
Título:
Synthesis, characterization and vibrational properties of p-fluorosulfinylaniline
Autor/es:
ANA LAURA PAEZ JEREZ; ANDREA FLORES ANTOGNINI; EDGARDO HUGO CUTIN ; NORMA LIS ROBLES
Revista:
SPECTROCHIMICA ACTA A: MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
Editorial:
ELSEVIER
Referencias:
Lugar: Amsterdam; Año: 2014 vol. 137 p. 300 - 305
ISSN:
0584-8539
Resumen:
The reaction of p-fluoroaniline and SOCl2 rendered pfluorosulfinylaniline in good yield.The obtained dark yellowish liquid compound was characterized by NMR, UV-visible, FTIR and Raman spectroscopies. The observed features were consistent with the existence of only one conformer, belonging to the CS symmetry group. A tentative assignment of the vibrational modes was performed on the basis of experimental spectra and quantum chemical calculations at different levels of theory (B3LYP and MP2 with 6-31+G(d), 6-311+G(d) and 6-311+G(df) basis sets). The conformational and vibrational properties of pfluorosulfinylaniline were in good agreement with experimental data reported for other substituted sulfinylanilines and p-halogenanilines.
