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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
Subject(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)}
Issue Date:2019-06-21
Publisher:International Symposium on Molecular Spectroscopy
Genre:Conference Paper / Presentation
Type:Text
Language:English
URI:http://hdl.handle.net/2142/104437
DOI:10.15278/isms.2019.FF01
Rights Information:Copyright 2019 Kirstin D Doney
Date Available in IDEALS:2019-07-15
2020-01-25


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