Laser spectroscopy of the jet-cooled SiCF free radical

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https://hdl.handle.net/2142/97163

Title: Laser spectroscopy of the jet-cooled SiCF free radical
Author(s): Smith, Tony
Contributor(s): Clouthier, Dennis
Issue Date: 2017-06-22
Keyword(s): Radicals
Abstract: The SiCF free radical has been detected through the A$^{2}$$Sigma$$^{+}$-X$^{2}$$Pi$ band system in the 605 - 550 nm region. The radical was produced in an electric discharge through a dilute mixture of CF$_{3}$SiH$_{3}$ in high pressure argon and studied by laser induced fluorescence. The vibronic levels of the ground and excited states have been measured through LIF and emission spectroscopy and a Renner-Teller analysis has been undertaken for the ground $^{2}$$Pi$ levels. The observed vibrational frequencies, partially resolved rotational band contours, Renner-Teller parameter, and electronic excitation energy are in accord with our predictions from high level ab initio (CCSD(T)/aug-cc-pVTZ) calculations. Theory shows that the radical has a silicon-carbon double bond in the ground state and a much shorter triple bond in the excited state. This is the third in the series of SiCX (X = H, Cl, and F) free radicals we have produced and studied in the gas phase.
Publisher: International Symposium on Molecular Spectroscopy
Type of Resource: text
Language: eng
Permalink: http://hdl.handle.net/2142/97163
DOI: https://doi.org/10.15278/isms.2017.RJ12