Spectroscopic and theoretical studies of sulfamoil fluoride, FSO 2 NH 2 and N-(fluorosulfonyl) imidosulfuryl fluoride, FSO 2 NS (O) F 2

RMS Álvarez, MIM Valdez, CO Della Védova…

Index: Alvareza, Rosa; Mora Valdeza, Marta I.; Cutin, Edgardo H.; Della Vedova, Carlos O. Journal of Molecular Structure, 2003 , vol. 657, # 1-3 p. 291 - 300

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Abstract

FT-IR and Raman spectra of sulfamoil fluoride, FSO2NH2, and N-(fluorosulfonyl) imidosulfuryl fluoride, FSO2NS (O) F2, were obtained. The experimental data are compared to results of ab initio and density functional theory (DFT) calculations. According to the theoretical studies the main conformer of FSO2NH2 possesses anti conformation (F–S single bond in anti position with respect to the nitrogen lone pair). The vibrational spectra ...