The Journal of Physical Chemistry A · 2004 · 19 citations · 37 references
Natural SciencesChemistryPhysicsQuantum ChemistrySolid State PhysicsSpectroscopyAbsorption SpectroscopyInfrared SpectroscopyInorganic SpectroscopyOptical Properties Of SolidsAbsorption SpectraBond LengthsInfrared Absorption SpectraInfrared Absorption SpectroscopyInfrared SpectraIsotopic Abundance RatiosIsotopic RatiosVibrational Absorption Bands
When a high-frequency discharged CS 2:O 2:Ar sample was condensed at 4 K, new absorptions at 1003.1 and 567.7 cm -1 were produced. Isotopic substitution ( 13 CS 2 /O 2, C 34 S 2 /O 2, CS 2 / 18 O 2, and mixtures) shows that these new absorptions are due to S−O and S−S stretching vibrations, which involve two inequivalent S atoms and one O atom. The photosensitive behavior and the agreement with frequencies and isotopic frequency ratios from quantum chemical calculations substantiate assignment of these absorptions to the SSO - anion, which was predicted to have a bent structure with elongated S−S and S−O bond lengths relative to those of S 2 O.
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Density-functional thermochemistry. III. The role of exact exchange
Axel D. Becke · The Journal of Chemical Physics · 1993 · 102.8K citations
Natural Sciences, Chemistry, Physics +13