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Register a new userRotational spectroscopy, tentative interstellar detection, and chemical modelling of N-methylformamide
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N-methylformamide, CH3NHCHO, may be an important molecule for interstellar pre-biotic chemistry because it contains a peptide bond. The rotational spectrum of the most stable trans conformer of CH3NHCHO is complicated by strong torsion-rotation interaction due to the low barrier of the methyl torsion. We use two absorption spectrometers in Kharkiv and Lille to measure the rotational spectra over 45--630 GHz. The analysis is carried out using the Rho-axis method and the RAM36 code. We search for N-methylformamide toward the hot molecular core Sgr B2(N2) using a spectral line survey carried out with ALMA. The astronomical results are put into a broader astrochemical context with the help of a gas-grain chemical kinetics model. The laboratory data set for the trans conformer of CH3NHCHO consists of 9469 line frequencies with J <= 62, including the first assignment of the rotational spectra of the first and second excited torsional states. All these lines are fitted within experimental accuracy. We report the tentative detection of CH3NHCHO towards Sgr B2(N2). We find CH3NHCHO to be more than one order of magnitude less abundant than NH2CHO, a factor of two less abundant than CH3NCO, but only slightly less abundant than CH3CONH2. The chemical models indicate that the efficient formation of HNCO via NH + CO on grains is a necessary step in the achievement of the observed gas-phase abundance of CH3NCO. Production of CH3NHCHO may plausibly occur on grains either through the direct addition of functional-group radicals or through the hydrogenation of CH3NCO. Provided the detection of CH3NHCHO is confirmed, the only slight underabundance of this molecule compared to its more stable structural isomer acetamide and the sensitivity of the model abundances to the chemical kinetics parameters suggest that the formation of these two molecules is controlled by kinetics rather than thermal equilibrium.
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In recent years, organic molecules of increasing complexity have been found toward the prolific Galactic center source Sagittarius B2. We wish to explore the degree of complexity that the interstellar chemistry can reach in star-forming regions. We carried out a complete line survey of the hot cores Sgr B2(N) and (M) with the IRAM 30 m telescope in the 3 mm range. We analyzed this spectral survey in the LTE approximation. We modeled the emission of all known molecules simultaneously, which allows us to search for less abundant, more complex molecules. We compared the derived column densities with the predictions of a coupled gas-phase and grain-surface chemical code. We report the first detection in space of ethyl formate (C2H5OCHO) and n-propyl cyanide (C3H7CN) toward Sgr B2(N). The abundances of ethyl formate and n-propyl cyanide relative to H2 are estimated to be 3.6e-9 and 1.0e-9, respectively. Our chemical modeling suggests that the sequential, piecewise construction of ethyl and n-propyl cyanide from their constituent functional groups on the grain surfaces is their most likely formation route. Ethyl formate is primarily formed on the grains by adding CH3 to functional-group radicals derived from methyl formate, although ethanol may also be a precursor. The detection in Sgr B2(N) of the next stage of complexity in two classes of complex molecule, esters and alkyl cyanides, suggests that greater complexity in other classes of molecule may be present in the interstellar medium. {Abridged}
We report the gas-phase detection and spectroscopic characterization of ethynethiol ($mathrm{HCCSH}$), a metastable isomer of thioketene ($mathrm{H_2C_2S}$) using a combination of Fourier-transform microwave and submillimeter-wave spectroscopies. Several $a$-type transitions of the normal species were initially detected below 40 GHz using a supersonic expansion-electrical discharge source, and subsequent measurement of higher-frequency, $b$-type lines using double resonance provided accurate predictions in the submillimeter region. With these, searches using a millimeter-wave absorption spectrometer equipped with a radio frequency discharge source were conducted in the range 280 - 660 GHz, ultimately yielding nearly 100 transitions up to $^rR_0(36)$ and $^rQ_0(68)$. From the combined data set, all three rotational constants and centrifugal distortion terms up to the sextic order were determined to high accuracy, providing a reliable set of frequency predictions to the lower end of the THz band. Isotopic substitution has enabled both a determination of the molecular structure of $mathrm{HCCSH}$ and, by inference, its formation pathway in our nozzle discharge source via the bimolecular radical-radical recombination reaction $mathrm{SH + C_2H}$, which is calculated to be highly exothermic (-477 kJ/mol) using the HEAT345(Q) thermochemical scheme.
The chemical pathways linking the small organic molecules commonly observed in molecular clouds to the large, complex, polycyclic species long-suspected to be carriers of the ubiquitous unidentified infrared emission bands remain unclear. To investigate whether the formation of mono- and poly-cyclic molecules observed in cold cores could form via the bottom-up reaction of ubiquitous carbon-chain species with, e.g. atomic hydrogen, a search is made for possible intermediates in data taken as part of the GOTHAM (GBT Observations of TMC-1 Hunting for Aromatic Molecules) project. Markov-Chain Monte Carlo (MCMC) Source Models were run to obtain column densities and excitation temperatures. Astrochemical models were run to examine possible formation routes, including a novel grain-surface pathway involving the hydrogenation of C$_6$N and HC$_6$N, as well as purely gas-phase reactions between C$_3$N and both propyne (CH$_3$CCH) and allene (CH$_2$CCH$_2$), as well as via the reaction CN + H$_2$CCCHCCH. We report the first detection of cyanoacetyleneallene (H$_2$CCCHC$_3$N) in space toward the TMC-1 cold cloud using the Robert C. Byrd 100 m Green Bank Telescope (GBT). Cyanoacetyleneallene may represent an intermediate between less-saturated carbon-chains, such as the cyanopolyynes, that are characteristic of cold cores and the more recently-discovered cyclic species like cyanocyclopentadiene. Results from our models show that the gas-phase allene-based formation route in particular produces abundances of H$_2$CCCHC$_3$N that match the column density of $2times10^{11}$ cm$^{-2}$ obtained from the MCMC Source Model, and that the grain-surface route yields large abundances on ices that could potentially be important as precursors for cyclic molecules.
The rotational spectrum of the higher-energy trans conformational isomer of methyl formate has been assigned for the first time using several pulsed-jet Fourier transform microwave spectrometers in the 6-60 GHz frequency range. This species has also been sought toward the Sagittarius B2(N) molecular cloud using the publicly available PRIMOS survey from the Green Bank Telescope. We detect seven absorption features in the survey that coincide with laboratory transitions of trans-methyl formate, from which we derive a column density of 3.1 (+2.6, -1.2) times 10^13 cm-2 and a rotational temperature of 7.6 pm 1.5 K. This excitation temperature is significantly lower than that of the more stable cis conformer in the same source but is consistent with that of other complex molecular species recently detected in Sgr B2(N). The difference in the rotational temperatures of the two conformers suggests that they have different spatial distributions in this source. As the abundance of trans-methyl formate is far higher than would be expected if the cis and trans conformers are in thermodynamic equilibrium, processes that could preferentially form trans-methyl formate in this region are discussed. We also discuss measurements that could be performed to make this detection more certain. This manuscript demonstrates how publicly available broadband radio astronomical surveys of chemically rich molecular clouds can be used in conjunction with laboratory rotational spectroscopy to search for new molecules in the interstellar medium.
Glycolamide is a glycine isomer and also one of the simplest derivatives of acetamide (e.g., one hydrogen atom is replaced with a hydroxyl group), which is a known interstellar molecule. Using a battery of state of the art rotational spectroscopic techniques in the frequency and time domain, around 1500 transitions have been newly assigned. Based on the reliable frequency predictions, we report a radioastronomical search for glycolamide in the well known high-mass star forming region Sgr B2(N) using the ALMA imaging spectral line survey ReMoCA. We also searched for glycolamide toward Sgr B2(N) with the Effelsberg radio telescope. We report the nondetection of glycolamide toward this source with an abundance at least six and five times lower than that of acetamide and glycolaldehyde, respectively. Our astrochemical model suggests that glycolamide may be present in this source at a level just below the upper limit, which was derived from the EMoCA survey. We could also not detect the molecule in the regions extended molecular envelope, which was probed with the Effelsberg telescope. We find an upper limit to its column density that is similar to the column densities obtained earlier for acetamide and glycolaldehyde with the Green Bank Telescope.
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