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dc.creatorKranze, Richard H.en_US
dc.creatorRittby, C. M. L.en_US
dc.creatorGraham, W. R. M.en_US
dc.date.accessioned2007-11-20T17:12:32Z
dc.date.available2007-11-20T17:12:32Z
dc.date.issued1995en_US
dc.identifier1995-TC-10en_US
dc.identifier.urihttp://hdl.handle.net/1811/29764
dc.description1. J.R. Heath and R.J. Saykally, J. Chem, Phys, 93, 8392 (1990).en_US
dc.descriptionAuthor Institution: Texas Christian University, Fort Worth, TX 76133.en_US
dc.description.abstractRecent ab initio calculations for the linear $C_{9}$ carbon cluster have shown a notable lack of convergence in the values of the frequencies and intensities predicted for the antisymmetric stretching modes $\nu_{5}, \nu_{6}$, and $\nu_{7}$. This situation has motivated a search for a second antisymmetric fundamental in addition to the $\nu_{5}(\sigma_{u})$ already observed at $2014.28 cm^{-1}$ in the gas $phase.^{1}$ This paper reports Fourier transform infrared observations of $C_{9}$ in solid Ar resulting in the identification for the first time of the $\nu_{7}(\sigma_{u})$ mode at $1601.0 cm^{-1}$. Comparison of $^{13}C$ isotopic shifts measured for over 200 isotopomers with the predictions of DFT (density functional theory) and CCSD (coupled cluster) calculations, conclusively confirms the assignment of the new mode. The results of isotopic measurements for the $\nu_{5}(\sigma_{u})$ antisymmetric stretching mode of linear $C_{7}$ at $1894.3 cm^{-1}$ and comparison with ab initio calculations are also reported.en_US
dc.format.extent51907 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleFIRST DETECTION OF THE $\nu_{7}(\sigma_{u})$ STRETCHING FUNDAMENTAL OF LINEAR $C_{9}$ AND STUDY OF THE $\nu_{5}(\sigma_{u})$ MODE OF LINEAR $C_{7}$ IN Ar AT 10 Ken_US
dc.typearticleen_US


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