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Rotational Spectra of the Thiosulfeno Radical, HSS and DSS, between 0.3 and 0.9 THz

✍ Scribed by Mitsutoshi Tanimoto; Thomas Klaus; Holger S.P. Müller; Gisbert Winnewisser


Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
185 KB
Volume
199
Category
Article
ISSN
0022-2852

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✦ Synopsis


The rotational spectra of the HSS and DSS radicals were studied in selected regions between 331 and 883 GHz. The radicals were produced by discharging a gaseous mixture of hydrogen (or deuterium) and hydrogen sulfide in the cell. The observation of the b-type Q-branch and R-branch lines with K a ϭ 2-1 and 3-2 for HSS and DSS, respectively, as well as the a-type R-branch lines allowed the improvement and the determination of the molecular constants among them (in MHz) HSS DSS A Ϫ (B ϩ C)/2 289 092.41 147 806.5 (B ϩ C)/2 7886.552 7603.098 (B Ϫ C)/4 54.7762 96.089 D K 24.33 6.79

We have reevaluated the harmonic force field of HSS and the ground state average and approximate equilibrium structural parameters. For the latter, we obtained r(HS) ϭ 135.23 pm, r(SS) ϭ 196.03 pm, and Є ϭ 101.74°. These results are compared with those from previous and own quantum chemical calculations as well as with results of related molecules.


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