Numerical analysis of vibronic structure of the SiCN X̃ 2Π system

Fukushima, Masaru

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https://hdl.handle.net/2142/100752 Copy

Description

Title

Numerical analysis of vibronic structure of the SiCN X̃ 2Π system

Author(s)

Fukushima, Masaru

Contributor(s)

Ishiwata, Takashi

Issue Date

2018-06-19

Keyword(s)

Mini-symposium: New Ways of Understanding Molecular Spectra

Abstract

The laser induced fluorescence ( LIF ) spectrum of the A˜ 2∆ – X˜ 2Π 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 HT interactions with ∆K = ±1, ∆Σ = ∓1, and ∆P = 0. Accurate results were obtained from this procedure reproducing experimental observations within the deviations of our instrumental resolution, ∼5 cm−1 . The mixing coefficients of the two vibronic levels are comparable to those obtained from computational studies.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/100752

DOI

10.15278/isms.2018.TB01

Copyright and License Information

Copyright 2018 Masaru Fukushima

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