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

Date of Ingest

• 2018-08-17T16:09:40Z
• 2018-12-12T22:35:23Z

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

Genre of Resource

Conference Paper / Presentation

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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