Beschreibung:
<jats:title>Abstract</jats:title><jats:p>The geometric structure and conformational properties of bis(trifluoromethylthio)methane, CH<jats:sub>2</jats:sub>(SCF<jats:sub>3</jats:sub>)<jats:sub>2</jats:sub>' were determined by gas electron diffraction. The main conformer (70 ± 15%) possesses <jats:italic>C</jats:italic><jats:sub>2</jats:sub> symmetry with dihedral angles Φ(SCSC) = 79.1(10)°. The second conformer possesses <jats:italic>C</jats:italic><jats:sub>1</jats:sub> symmetry. The following skeletal geometric parameters (distances <jats:italic>r</jats:italic><jats:sub>a</jats:sub> [pm] and angles 〈<jats:sub>α</jats:sub>[°] with 3‐σ uncertainties) were obtained: CS 183.6(3), SCF<jats:sub>3</jats:sub>, 179.3(3), SCS 112.1(6), and CSC 98.2(10). The geometric structures and relative conformational stabilities were well reproduced by ab initio calculations at the HF/3‐21G* level.</jats:p>