INVESTIGADORES
DELLA VEDOVA Carlos Omar
artículos
Título:
Preparation and Properties of Chlorosulfuryl Chloroformate, ClC(O)OSO2Cl
Autor/es:
ROMANO, ROSANA M.; MORENO BETANCOURT, ANGÉLICA; DELLA VÉDOVA, CARLOS O.; ZENG, XIAOQING; BECKERS, HELMUT; WILLNER, HELGE; SCHWABEDISSEN, JAN; MITZEL, NORBERT W.
Revista:
INORGANIC CHEMISTRY
Editorial:
AMER CHEMICAL SOC
Referencias:
Año: 2018 vol. 57 p. 14834 - 14842
ISSN:
0020-1669
Resumen:
The novel chlorosulfuryl chloroformate, ClC(O)OSO2Cl, was prepared by the reaction of CCl4 and SO3. Alternatively, the compound was obtained from the direct insertion reaction of SO3 to Cl2C=O. The latter reaction constitutes also a confirmation of the proposed mechanism for the former one. Density functional theory and MP2 theoretical approximations predict the existence of two conformers, syn-gauche and syn-anti, depending on the value adopted by the dihedral angles χ(Cl-C-O-S) and χ (C-O-S-Cl). The structure of the syn-gauche conformer was determined by gas-phase electron diffraction (GED). The existence of the syn-anti conformer can be neither confirmed nor excluded by the GED experiment. Vibrational spectra (vapor-phase and argon-matrix Fourier transform infrared and liquid Fourier transform Raman) were interpreted by an equilibrium mixture between both conformers.