Send to

Choose Destination
Inorg Chem. 2018 Dec 3;57(23):14834-14842. doi: 10.1021/acs.inorgchem.8b02581. Epub 2018 Nov 16.

Preparation and Properties of Chlorosulfuryl Chloroformate, ClC(O)OSO2Cl.

Author information

CEQUINOR (UNLP, CCT-CONICET La Plata), Departamento de Química, Facultad de Ciencias Exactas , Universidad Nacional de La Plata . Boulevard 120, N° 1465 , La Plata CP1900 , Argentina.
College of Chemistry, Chemical Engineering and Materials Science , Soochow University , Suzhou 215123 , Jiangsu , China.
Institut für Chemie und Biochemie, Anorganische Chemie , FU Berlin , Fabeckstraße 34/36 , Berlin 14195 , Germany.
FB C, Anorganische Chemie , Bergische Universität Wuppertal , Gaußstraße 20 , Wuppertal 42119 , Germany.
Fakultät für Chemie, Lehrstuhl für Anorganische Chemie und Strukturchemie , Universität Bielefeld , Universitätsstraße 25 , Bielefeld 33615 , Germany.


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 ϕ(Cl-C-O-S) and ϕ(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.

Supplemental Content

Full text links

Icon for American Chemical Society
Loading ...
Support Center