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Title:NUMERICAL ANALYSIS OF VIBRONIC STRUCTURE OF THE SiCN X̃ 2Π SYSTEM
Author(s):Fukushima, Masaru
Contributor(s):Ishiwata, Takashi
Subject(s):Mini-symposium: New Ways of Understanding Molecular Spectra
Abstract:The laser induced fluorescence (~LIF~) spectrum of the $\tilde{A}$ $^2\Delta$ -- $\tilde{X}$ $^2\Pi$ transition was obtained for SiCN generated by laser ablation under supersonic free jet expansion. The vibrational structure, particularly that associated with the bending mode, of the dispersed fluorescence (~DF~) spectra from single vibronic levels (~SVL's~) is too complicated to analyze by the usual formulation derived from perturbational approach. Successful analysis requires us to numerically diagonalize the vibronic Hamiltonian, in which Renner-Teller (~R-T~), anharmonicity, spin-orbit (~SO~), Herzberg-Teller (~H-T~), Fermi, and Sears interactions have been considered, where the Sears resonance is a second-order interaction combined from SO and H-T interactions with $\Delta K = \pm1$, $\Delta \Sigma = \mp1$, and $\Delta P = 0$. Accurate results were obtained from this procedure reproducing experimental observations within the deviations of our instrumental resolution, $\sim$5 cm$^{-1}$. The mixing coefficients of the two vibronic levels are comparable to those obtained from computational studies\footnote{V.~Brites, A.~O.~Mitrushchenkov, and C.~L\'{e}onard, J.~Chem.~Phys. 138, 104311 (2013); C.~L\'{e}onard, Private communication.}.
Issue Date:06/19/18
Publisher:International Symposium on Molecular Spectroscopy
Citation Info:APS
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/100752
DOI:10.15278/isms.2018.TB01
Other Identifier(s):TB01
Date Available in IDEALS:2018-08-17
2018-12-12


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