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VIBRATIONAL SPECTRA OF A HEXA-ATOMIC SILICON-CARBON CLUSTER: LINEAR $SiC_{4} Si^{a}$

Please use this identifier to cite or link to this item: http://hdl.handle.net/1811/13819

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Title: VIBRATIONAL SPECTRA OF A HEXA-ATOMIC SILICON-CARBON CLUSTER: LINEAR $SiC_{4} Si^{a}$
Creators: Presilla-Márquez, J. D.; Rittby, C. M. L.; Graham, W. R. M.
Issue Date: 1997
Abstract: Ongoing Fourier transform infrared investigations of the spectra and structures of silicon-carbon clusters trapped in Ar at 10 K, have resulted in the observation of the first six-member cluster, $Si_{2}C_{4}$ cluster. Two vibrational fundamentals of the linear $SiC_{4}Si$ structure: have been assigned, the C=C stretching mode $\nu_{4}(\sigma_{u}) =1807.4 cm^{-1}$, and the Si-C stretching mode $\nu_{5}(\sigma_{u}) = 719.1 cm^{-1}$. The measured frequencies, relative intensities, and $^{13}C$ and $^{29.30}Si$ isotopic shifts are in very good agreement with the predictions of DFT calculations and confirm the previously predicted, linear symmetric geometry for the ground state of $SiC_{4}Si$.
URI: http://hdl.handle.net/1811/13819
Other Identifiers: 1997-FD-10
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