Stretching our knowledge of the electronic ground state of C3: The spectroscopy of stretching modes of C3

Doney, Kirstin D.

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https://hdl.handle.net/2142/104437 Copy

Description

Title

Stretching our knowledge of the electronic ground state of C3: The spectroscopy of stretching modes of C3

Author(s)

Doney, Kirstin D.

Contributor(s)

• Linnartz, Harold
• Sebald, Peter
• Zhao, Dongfeng
• Schröder, Benjamin

Issue Date

2019-06-21

Keyword(s)

Comparing theory and experiment

Abstract

"We present the high-resolution spectrum of C$_3$ produced in a supersonically expanding propyne plasma, which is recorded around 3~$\mu$m using continuous wave cavity ring-down spectroscopy (cw-CRDS). Fifteen fully resolved ro-vibrational bands are observed, which have been assigned to vibrationally excited n$\nub{1}$+m$\nub{3}$ combination bands of C$_3$; fourteen of which are reported for the first time. This work is a significant extension of the known electronic ground state vibrational energy levels, with the observed number of quanta being: n $\leq$ 7 and m $\leq$ 3. Furthermore, with the new observations of highly excited vibrational modes, up to the (7,0,1) energy level, we are able to test the fundamental understanding of this ""floppy"" benchmark molecule. A detailed analysis of the experimental spectra is supported by ro-vibrational calculations based on an accurate local \textit{ab initio} potential energy surface (PES) for C$_3$ (\~{X}$^1\Sigma^+_g$).\footnote{B. Schr\""{o}der and P. Sebald, J. Chem. Phys. 144, 044307 (2016)} The presented variational calculations give remarkable agreement compared to experimental values with typical accuracies of $\sim$0.01\% for the vibrational frequencies and $\sim$0.001\% for the rotational parameters, even for high energy levels around 10000~cm$^{-1}$.\footnote{B. Schr\""{o}der \textit{et al.}, J. Chem. Phys. 149, 014302 (2018)}"

Publisher

International Symposium on Molecular Spectroscopy

Type of Resource

text

Language

eng

Permalink

http://hdl.handle.net/2142/104437

DOI

https://doi.org/10.15278/isms.2019.FF01

Copyright and License Information

Copyright 2019 Kirstin D. Doney

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