Gas-phase structures of dithietane derivatives, including an electron diffraction study of 1,3-dithietane 1,1,3,3-tetraoxide
Derek, A. Wann, A Bil, P D. Lane, H E. RobertsonâŠ
Structural Chemistry 24(3): 827-835
2013
ISSN/ISBN: 1040-0400 DOI: 10.1007/s11224-012-0179-8
Accession: 064325885
The gas electron diffraction structure of 1,3-dithietane 1,1,3,3-tetraoxide has been determined using the Saracen method to restrain parameters that otherwise could not be refined. Quantum chemical calculations for this species showed that the potential-energy surface was extremely flat, and this was also observed from the diffraction experiments. The difference in goodness of fit for the diffraction experiment between a planar ring and one puckered by up to 9° was very small.