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Deuterium hyperfine splittings in the rotational spectrum of NH2D as revealed by Lamb-dip spectroscopy

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Abstract In the context of radio-astronomical observations, laboratory experiments constitute a cornerstone in the interpretation of rich line surveys due to the concomitant presence of numerous emitting molecules. Here, we… Click to show full abstract

Abstract In the context of radio-astronomical observations, laboratory experiments constitute a cornerstone in the interpretation of rich line surveys due to the concomitant presence of numerous emitting molecules. Here, we report the investigation of three different rotational transitions of mono-deuterated ammonia (NH2D), a species of astrophysical interest, for which the contribution of the deuterium nuclear spin to the rotational spectrum has been resolved for the first time in the millimeter- and submillimeter-wave domain. The effect of hyperfine interactions on the rotational spectrum has been unveiled by a combined theoretical and experimental approach. Quantum-chemical calculations based on coupled-cluster theory have been employed to evaluate the hyperfine parameters of nitrogen, hydrogen, and deuterium in NH2D. Subsequently, the Lamb-dip technique has been used to investigate the rotational spectrum of NH2D at high-resolution. In detail, three low-J transitions have been recorded at 86, 110, and 333 GHz with a frequency-modulation millimeter-/submillimeter-wave spectrometer. From the line profile analysis of the recorded spectra, the main terms responsible for the rotational hyperfine structure have been determined with good accuracy. Our work allows a comprehensive analysis of the rotational features of NH2D in radioastronomical spectra and a more accurate evaluation of its column density, especially in non-turbulent regions showing narrow linewidths.

Keywords: rotational spectrum; deuterium; hyperfine; spectroscopy; lamb dip

Journal Title: Journal of Molecular Spectroscopy
Year Published: 2020

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