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Register a new userTerahertz spectroscopy and global analysis of the rotational spectrum of doubly deuterated Amidogen radical ND$_{2}$
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The deuteration mechanism of molecules in the interstellar medium (ISM) is still being debated. Observations of deuterium-bearing species in several astronomical sources represent a powerful tool to improve our understanding of the interstellar chemistry. The doubly deuterated form of the astrophysically interesting Amidogen radical could be a target of detection in space. In this work, the rotational spectrum of the ND$_{2}$ radical in its ground vibrational and electronic $X^{2}B_{1}$ states has been investigated between 588 and 1131 GHz using a frequency modulation millimeter/submillimeter-wave spectrometer. The ND$_{2}$ has been produced in a free-space glass absorption cell by discharging a mixture of ND$_{3}$ and Ar. Sixty-four new transition frequencies involving $J$ values from 2 to 5 and $K_{a}$ values from 0 to 4 have been measured. A global analysis including all the previous field-free pure rotational data has been performed, allowing for a more precise determination of a very large number of spectroscopic parameters. Accurate predictions of rotational transition frequencies of ND$_{2}$ are now available from a few GHz up to several THz.
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The rotational spectrum of $^{15}$ND in its ground electronic $X^{3}Sigma^{-}$ state has been observed for the first time. Forty-three hyperfine-structure components belonging to the ground and v = 1 vibrational states have been recorded with a frequency-modulation millimeter-/submillimeter-wave spectrometer. These new measurements, together with the ones available for the other isotopologues NH, ND, and $^{15}$NH, have been simultaneously analysed using the Dunham model to represent the ro-vibrational, fine, and hyperfine energy contributions. The least-squares fit of more than 1500 transitions yielded an extensive set of isotopically independent $U_{lm}$ parameters plus 13 Born--Oppenheimer Breakdown coefficients $Delta_{lm}$. As an alternative approach, we performed a Dunham analysis in terms of the most abundant isotopologue coefficients $Y_{lm}$ and some isotopically dependent Born--Oppenheimer Breakdown constants $delta_{lm}$ [R. J. Le Roy, J. Mol. Spectrosc. 194, 189 (1999)]. The two fits provide results of equivalent quality. The Born--Oppenheimer equilibrium bond distance for the imidogen radical has been calculated [$r_e^{BO}$ =103.606721(13) pm] and zero point energies have been derived for all the isotopologues.
Observations of ammonia in interstellar environments have revealed high levels of deuteration, and all its D-containing variants, including ND$_3$, have been detected in cold prestellar cores and around young protostars. The observation of these deuterated isotopologues is very useful to elucidate the chemical and physical processes taking place during the very early stages of star formation, as the abundance of deuterated molecules is highly enhanced in dense and cold gas. Nitrogen hydride radicals are key species lying at the very beginning of the reaction pathway leading to the formation of NH$_3$ and organic molecules of pre-biotic interest, but relatively little information is known about their D-bearing isotopologues. To date, only ND has been detected in the interstellar gas. To aid the identification of further deuterated nitrogen radicals, we have thoroughly re-investigated the rotational spectrum of NHD employing two different instruments: a frequency-modulation submillimetre spectrometer operating in the THz region and a synchrotron-based Fourier Transform infrared spectrometer operating in the 50-240 cm$^{-1}$ wavelength range. NHD was produced in a plasma of NH$_3$ and D$_2$. A wide range of rotational energy levels has been probed thanks to the observation of high $N$ (up to 15) and high $K_a$ (up to 9) transitions. A global analysis including our new data and those already available in the literature has provided a comprehensive set of very accurate spectroscopic parameters. A highly reliable line catalogue has been generated to assist archival data searches and future astronomical observations of NHD at submillimetre and THz regimes.
Our observations of TMC-1 with the Yebes 40 m radio telescope in the 31.0-50.3 GHz range allowed us to detect a group of unidentified lines, showing a complex line pattern indicative of an open-shell species. {}The observed frequencies of these lines and the similarity of the spectral pattern with that of the 2$_{0,2}$-1$_{0,1}$ rotational transition of H$_2$CCN indicate that the lines arise from the deuterated cyanomethyl radical, HDCCN. Using Fourier transform microwave spectroscopy experiments combined with electric discharges, we succeeded in producing the radical HDCCN in the laboratory and observed its 1$_{0,1}$-0$_{0,0}$ and 2$_{0,2}$-1$_{0,1}$ rotational transitions. From our observations and assuming a rotational temperature of 5 K, we derive an abundance ratio H$_2$CCN/HDCCN=20$pm$4. The high abundance of the deuterated form of H$_2$CCN is well accounted for by a standard gas-phase model, in which deuteration is driven by deuteron transfer from the H$_2$D$^+$ molecular ion.
Glycolaldehyde, a sugar-related interstellar prebiotic molecule, has recently been detected in two star-forming regions, Sgr B2(N) and G31.41+0.31. The detection of this new species increased the list of complex organic molecules detected in the interstellar medium (ISM) and adds another level to the chemical complexity present in space. Besides, this kind of organic molecule is important because it is directly linked to the origin of life. For many years, astronomers have been struggling to understand the origin of this high chemical complexity in the ISM. The study of deuteration may provide crucial hints. In this context, we have measured the spectra of deuterated isotopologues of glycolaldehyde in the laboratory: the three monodeuterated ones (CH2OD-CHO, CHDOH-CHO and CH2OH-CDO) and one dideuterated derivative (CHDOH-CDO) in the ground vibrational state. Previous laboratory work on the D-isotopologues of glycolaldehyde was restricted to less than 26 GHz. We used a solidstate submillimeter-wave spectrometer in Lille with an accuracy for isolated lines better than 30 kHz to acquire new spectroscopic data between 150 and 630 GHz and employed the ASFIT and SPCAT programs for analysis. We measured around 900 new lines for each isotopologue and determined spectroscopic parameters. This allows an accurate prediction in the ALMA range up to 850 GHz. This treatment meets the needs for a first astrophysical research, for which we provide an appropriate set of predictions.
We report the first detection in space of the two doubly deuterated isotopologues of methyl acetylene. The species CHD2CCH and CH2DCCD were identified in the dense core L483 through nine and eight, respectively, rotational lines in the 72-116 GHz range using the IRAM 30m telescope. The astronomical frequencies observed here were combined with laboratory frequencies from the literature measured in the 29-47 GHz range to derive more accurate spectroscopic parameters for the two isotopologues. We derive beam-averaged column densities of (2.7 +/- 0.5)e12 cm-2 for CHD2CCH and (2.2 +/- 0.4)e12 cm-2 for CH2DCCD, which translate to abundance ratios CH3CCH/CHD2CCH = 34 +/- 10 and CH3CCH/CH2DCCD = 42 +/- 13. The doubly deuterated isotopologues of methyl acetylene are only a few times less abundant than the singly deuterated ones, concretely around 2.4 times less abundant than CH3CCD. The abundances of the different deuterated isotopologues with respect to CH3CCH are reasonably accounted for by a gas-phase chemical model in which deuteration occurs from the precursor ions C3H6D+ and C3H5D+, when the ortho-to-para ratio of molecular hydrogen is sufficiently low. This points to gas-phase chemical reactions, rather than grain-surface processes, as responsible for the formation and deuterium fractionation of CH3CCH in L483. The abundance ratios CH2DCCH/CH3CCD = 3.0 +/- 0.9 and CHD2CCH/CH2DCCD = 1.25 +/- 0.37 observed in L483 are consistent with the statistically expected values of three and one, respectively, with the slight overabundance of CHD2CCH compared to CH2DCCD being well explained by the chemical model.
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