Potential energy surface of SOCl3 -

Bachrach, S.M., Hayes, Joseph orcid iconORCID: 0000-0002-7745-9616, Check, C.E. and Sunderlin, L.S. (2001) Potential energy surface of SOCl3 -. Journal of Physical Chemistry A, 105 (41). pp. 9595-9597. ISSN 10895639

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Official URL: http://dx.doi.org/10.1021/jp012412f


Sulfur trichloride monoxide anion (SOCl3-) is stable in the gas phase. The G2 estimate of the energy for its dissociation to thionyl chloride and chloride anion is 102.8 kJ mol-1. The potential energy surface for the reaction SOCl2 + Cl- → SOCl3- has just a single well corresponding to the product. Collision-induced dissociation observed using a flowing afterglow-tandem mass spectrometer indicates a D0(SOCl2−Cl-) bond energy of 85.4 ± 7.6 kJ mol-1, which is very similar to the previously determined bond energy D0(SCl2−Cl-) = 85 kJ mol-1.

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