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- W2810074001 abstract "We present the high resolution infrared detection of fifteen highly vibrationally excited nν1 + mν3 combination bands (n ≤ 7 and m ≤ 3) of C3 produced in a supersonically expanding propyne plasma, of which fourteen are reported for the first time. The fully resolved spectrum, around 3 μm, is recorded using continuous wave cavity ring-down spectroscopy. A detailed analysis of the resulting spectra is provided by ro-vibrational calculations based on an accurate local ab initio potential energy surface for C3 (X̃1Σg+). The experimental results not only offer a significant extension of the available data set, extending the observed number of quanta v1 to 7 and v3 to 3, but also a vital test to the fundamental understanding of this benchmark molecule. The present variational calculations give remarkable agreement compared to experimental values with typical accuracies of ∼0.01% for the vibrational frequencies and ∼0.001% for the rotational parameters, even for high energy levels around 10 000 cm-1." @default.
- W2810074001 created "2018-07-10" @default.
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- W2810074001 date "2018-07-07" @default.
- W2810074001 modified "2023-09-24" @default.
- W2810074001 title "Stretching our understanding of C3: Experimental and theoretical spectroscopy of highly excited nν1 + mν3 states (n ≤ 7 and m ≤ 3)" @default.
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- W2810074001 doi "https://doi.org/10.1063/1.5034092" @default.
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