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dc.creatorMcCarthy, M. C.en_US
dc.creatorThaddeus, P.en_US
dc.creatorWilke, Jeremiah J.en_US
dc.creatorSchaefer, Henry F. IIIen_US
dc.date.accessioned2009-07-29T12:53:15Z
dc.date.available2009-07-29T12:53:15Z
dc.date.issued2009en_US
dc.identifier2009-TE-11en_US
dc.identifier.urihttp://hdl.handle.net/1811/38213
dc.descriptionAuthor Institution: Harvard-Smithsonian Center for Astrophysics, 60 Garden St.; Cambridge, MA 02138, and School of Engineering \& Applied Sciences, Harvard University, 29 Oxford St., Cambridge, MA 02138; Center for Computational Chemistry, University of Georgia, 1004 Cedar St, Athens, GA 30602en_US
dc.description.abstractThe rotational spectrum of protonated carbon disulfide, HSCS$^+$, has been detected in the centimeter-wave band in a molecular beam by Fourier transform microwave spectroscopy. Rotational and centrifugal distortion constants have been determined from transitions in the $K_a=0$ ladder of the normal isotopic species, HS$^{13}$CS$^+$, and DSCS$^+$. The present assignment agrees well with high-level coupled cluster calculations of the HSCS$^+$ structure, which, like earlier work, predict this isomer to be the ground state on the HCS$_2^+$ potential energy surface; HCSS$^+$, an isomer with $C_{2v}$ symmetry, is predicted to lie more than 20~kcal/mol higher in energy. Other properties of HSCS$^+$ including its dipole moment, vibrational frequencies, and infrared intensities have also been calculated at the CCSD(T)/cc-pwCVQZ level of theory. Because carbon disulfide possesses a fairly large proton affinity, and because this nonpolar molecule may plausible exist in astronomical sources, HSCS$^+$ is a good candidate for detection with radio telescopes in the sub-millimeter band where the stronger $b$-type transitions of this protonated cation are predicted to lie.en_US
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleA LABORATORY AND THEORETICAL STUDY OF PROTONATED CARBON DISULFIDE, HSCS$^+$en_US
dc.typeArticleen_US


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