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Vibrational dynamic and spectroscopic molecular parameters of trans-Methylglyoxal, a gaseous precursor of secondary organic aerosols

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Abstract Methylglyoxal is a secondary product of oxidation of isoprene and as such one of the most abundant α -dicarbonyls present in the atmosphere. Due to its low vapor pressure,… Click to show full abstract

Abstract Methylglyoxal is a secondary product of oxidation of isoprene and as such one of the most abundant α -dicarbonyls present in the atmosphere. Due to its low vapor pressure, it is highly suspected to be a secondary organic aerosols precursor. The rotational spectrum of Methylglyoxal in its vibrational ground state has been reinvestigated in the 4–500 GHz range and fitted to instrumental accuracies using a model taking into account the methyl group internal rotation motion and with the support of quantum chemistry calculations. Reliability of the line assignments and extracted molecular parameters is confirmed by the good agreement between experiments and calculations.

Keywords: organic aerosols; secondary organic; dynamic spectroscopic; vibrational dynamic; molecular parameters; spectroscopic molecular

Journal Title: Journal of Molecular Spectroscopy
Year Published: 2017

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