INVESTIGADORES
ROMANO rosana mariel
artículos
Título:
N-Sulfinyl Fluorocarbonylsulphane, FC(O)SNSO: Structure and Theoretical Calculations
Autor/es:
ROSANA M. ROMANO; CARLOS O. DELLA VÉDOVA; ROLAND BOESE
Revista:
JOURNAL OF MOLECULAR STRUCTURE
Referencias:
Año: 1999 vol. 513 p. 79 - 84
ISSN:
0022-2860
Resumen:
The crystal structure of N-sulfinylimine fluorocarbonylsulphane, FC(O)SNSO, was determined by X-ray diffraction analysis
from crystals obtained at 271 K using a miniature zone melting procedure. The molecule exhibits only one form with CsN-sulfinylimine fluorocarbonylsulphane, FC(O)SNSO, was determined by X-ray diffraction analysis
from crystals obtained at 271 K using a miniature zone melting procedure. The molecule exhibits only one form with Css
symmetry: the CyO double bond syn with respect to the SN single bond, CS single bond anti to the NyS double bond
and SN single bond syn with respect to the SyO double bond. Theoretical calculations using different levels of approximations
were carried out. They reproduce both experimental parameters and vibrational data very well. The extension of the preresonance
Raman effect is associated with the planarity of the molecule. Overtone and combination bands are observed in these
spectra.yO double bond syn with respect to the SN single bond, CS single bond anti to the NyS double bond
and SN single bond syn with respect to the SyO double bond. Theoretical calculations using different levels of approximations
were carried out. They reproduce both experimental parameters and vibrational data very well. The extension of the preresonance
Raman effect is associated with the planarity of the molecule. Overtone and combination bands are observed in these
spectra.syn with respect to the SyO double bond. Theoretical calculations using different levels of approximations
were carried out. They reproduce both experimental parameters and vibrational data very well. The extension of the preresonance
Raman effect is associated with the planarity of the molecule. Overtone and combination bands are observed in these
spectra.