Gas-phase structure, conformation, and sulfur 2p photoelectron spectroscopy of pentafluorosulfur fluorosulfonate, SF5OSO2F.
The structure of SF(5)OSO(2)F has been investigated using gas-phase electron diffraction and quantum-chemical calculations. It is found to exist primarily in the gauche form (SF(5) group gauche relative to the S-F bond of the SO(2)F group with phi(S-O-S-F = 71(7) degrees ). A small contribution of the trans conformer cannot be excluded. Photoelectron spectroscopy gives ionization energies for the sulfur 2p electrons that reflect the relative electronegativities of fluorine and oxygen. The widths of the peaks in the photoelectron spectra indicate that there is considerable vibrational excitation associated with the core ionization of the sulfur atoms.
Leibold
Christiane
C
Institut für Physikalische und Theoretische Chemie, Universität Tübingen, 72076 Tübingen, Germany.
Oberhammer
Heinz
H
Thomas
T Darrah
TD
Saethre
Leif J
LJ
Winter
Rolf
R
Gard
Gary L
GL