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A photoelectron and ab initio study of the CH3SCH2 radical

✍ Scribed by J. Baker; J.M. Dyke

Publisher: Elsevier Science
Year: 1993
Tongue: English
Weight: 398 KB
Volume: 213
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(93)85129-c

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✦ Synopsis

A new partially structured photoelectron band appearing early in the F+CH,SCH, reaction has been assigned to the primary reaction product, CHpSCH2. This band, with adiabatic and vertical ionisation energies of 6.85 kO.03 and 7.16+0.03 eV, respectively, shows structure in two vibrational modes, with o,=870f 70 cm-' and w2= 390+ 100 cm-', which can be assigned to the S%CHZ stretch and the C-S-C deformation modes of the ion. These assignments are consistent with the results of ab initio calculations conducted at the SCF and MP2 levels.

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