LIF spectroscopy of a 1Σ species containing Si: Linear SiOSi?

Fukushima, Masaru

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https://hdl.handle.net/2142/100697 Copy

Description

Title

LIF spectroscopy of a 1Σ species containing Si: Linear SiOSi?

Author(s)

Fukushima, Masaru

Contributor(s)

Ishiwata, Takashi

Issue Date

2018-06-18

Keyword(s)

Radicals

Date of Ingest

• 2018-08-17T16:09:33Z
• 2018-12-12T22:37:12Z

Abstract

In our past SiCN investigationa , we found unknown bands with 1Σ – 1Σ rotational structure in the laser induced fluorescence ( LIF ) excitation spectrum of SiCN. From the rotational constants, the spectral species may possibly be attributed to SiOSi. Although the most stable geometry of the ground electronic state is reported to be cyclic structureb , our CCSD(T) calculation with arg-cc-pCVTZ indicates the linear geometry, 1Σ + g , lying ∼2,000 cm−1 above it. The potential energy surface calculated is very strange, and it indicates a barrier between the two geometries, ∼10,000 cm−1 from the bottom. The dispersed fluorescence ( DF ) spectra from the single vibronic levels have fairly long progressions with very harmonic structure, but no hot-band structure. More precise computational works are underway, and we will discuss the assignment of the spectral species in this talk.

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Genre of Resource

Conference Paper / Presentation

Language

eng

Permalink

http://hdl.handle.net/2142/100697

DOI

10.15278/isms.2018.MJ09

Copyright and License Information

Copyright 2018 Masaru Fukushima

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