The gas-phase structure of bis (trifluorosulfur) difluoromethane CF2(SF3)2
1991; Elsevier BV; Volume: 248; Issue: 3-4 Linguagem: Inglês
10.1016/0022-2860(91)80046-7
ISSN1872-8014
AutoresIlse Weiss, Heinz Oberhammera, Detlef Viets, Rüdiger Mews, Alfred Waterfeld,
Tópico(s)Advanced Chemical Physics Studies
ResumoAbstract The gas-phase structure of CF 2 (SF 3 ) 2 has been determined by electron diffraction. The experimental intensities were fitted with a model of C 2 symmetry and the following geometric parameters ( r g distances in A and ∠ α angles in degrees with 3σ error limits) were obtained: CF=1.318 (5) A, SF eq =1.562 (6) A, SF ax =1.664 (4) A, SC=1.888 (7) A, ∠SCS=108.2 (5)°, ∠FCF=109.8 (18)°, (∠CSF ax ) mean =87.1 (3)°, ∠CSF eq =97.2 (11)°, ∠F eq SF ax =88.1 (3)° and dihedral angle δ (SCSF eq )=130.8 (9)°. The two SF 3 groups are slightly tilted away from the CF 2 group resulting in a difference between the two CSF ax angles of 4.0 (10)°. The remarkably small SCS angle of 108.2 (5)° results in a very short non-bonded contact between sulfur and one axial fluorine of the opposite SF 3 group (2.66 A) which possibly indicates the presence of an SF··S bridge.
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