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Lo WJ, Chen HF, Chou PH, Lee YP: Isomers of OCS2: IR absorption spectra of OSCS and O (CS2) in solid Ar. J Chem Phys. 2004 Dec 22;121(24):12371-8.
The first set of lines are assigned to C=S stretching, O-S stretching, and S-C stretching modes of carbon disulfide S-oxide, OSCS; and the second set of lines are assigned to C=O stretching and OCS bending modes of dithiiranone, O (CS (2)), respectively, based on results of (34) S- and (18) O-isotopic experiments and quantum-chemical calculations.
These calculations using density-functional theory (B3LYP/aug-cc-pVTZ) predict four stable isomers of OCS (2): O (CS (2)), SSCO, OSCS, and SOCS, listed in order of increasing energy. |
2(0,0,0,2) |
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