Rotational spectroscopy, tentative interstellar detection, and chemical modeling of N-methylformamide

@article{Belloche2017RotationalST,
  title={Rotational spectroscopy, tentative interstellar detection, and chemical modeling of N-methylformamide},
  author={A. Belloche and A. Meshcheryakov and R. Garrod and V. Ilyushin and E. Alekseev and R. Motiyenko and L. Margul{\`e}s and H. Muller and K. Menten},
  journal={Astronomy and Astrophysics},
  year={2017},
  volume={601}
}
Context. N-methylformamide, CH3 NHCHO, may be an important molecule for interstellar pre-biotic chemistry because it contains a peptide bond, which in terrestrial chemistry is responsible for linking amino acids in proteins. The rotational spectrum of the most stable trans conformer of N-methylformamide is complicated by strong torsion-rotation interaction due to the low barrier of the methyl torsion. For this reason, the theoretical description of the rotational spectrum of the trans conformer… Expand
The rotational spectrum of Methylarsine
Abstract The rotational spectrum of an organoarsenic compound, methylarsine, CH 3 AsH 2 , was studied in the frequency range 10–80 GHz using the Stark-modulated spectrometer in Oslo, and in theExpand
Formation of interstellar cyanoacetamide: a rotational and computational study.
TLDR
The first rotational characterization of cyanoacetamide is reported, and a precise set of the relevant rotational spectroscopic constants have been determined as a first step to identifying the molecule in the interstellar medium. Expand
Rotational spectrum of methoxyamine up to 480 GHz: a laboratory study and astronomical search.
TLDR
Methoxyamine is a potential interstellar amine that has been predicted by gas-grain chemical models for the formation of complex molecules and direct experimental frequencies of its ground-vibrational state in the millimeter- and submillimeter-wave regions are provided to achieve its detection in the interstellar medium. Expand
Large amplitude torsions in nitrotoluene isomers studied by rotational spectroscopy and quantum chemistry calculations.
TLDR
The study of theinternal rotation splittings in the spectra of three NT isomers allowed to characterise the internal rotation potentials of the methyl group and to compare them with other mono-substituted toluene derivatives in order to study the isomeric influence on the internal rotational barrier. Expand
The millimeter-wave spectrum of methyl ketene and the astronomical search for it.
TLDR
The goal consists in analyzing one of the two most stable species of the C3H4O family, methyl ketene, whose actual rotational parameters are not precise enough to allow its detection in the ISM. Expand
A prochiral precursor in space? Accurate laboratory characterization of acetylacetylene in the cm-wave region
Abstract The most prominent pure rotational transitions of the prochiral, possibly prebiotic molecule acetylacetylene are recorded in the frequency range of 6.5-26.5 GHz for a reliable spectralExpand
Interstellar glycolamide: A comprehensive rotational study and an astronomical search in Sgr B2(N).
TLDR
This work provides direct experimental frequencies of the ground vibrational state of glycolamide in the centimeter-, millimeter- and submillimeter-wavelength regions in order to enable its identification in the interstellar medium. Expand
Re-exploring Molecular Complexity with ALMA (ReMoCA): Interstellar detection of urea
Urea, NH2C(O)NH2, is a molecule of great importance in organic chemistry and biology. Two searches for urea in the interstellar medium were reported in the past, but neither were conclusive. We wantExpand
The microwave spectrum of 2-methylthiazole: 14N nuclear quadrupole coupling and methyl internal rotation.
TLDR
The rotational spectrum of 2-methylthiazole was recorded using two pulsed molecular jet Fourier transform microwave spectrometers operating in the frequency range of2-40 GHz and all rotational transitions were split into A and E symmetry species lines, which were analyzed using XIAM and BELGI-Cs-hyperfine. Expand
The Case for Methyl Group Precession Accompanying Torsional Motion
For molecules containing a methyl group, high precision fits of rotational line data (microwave spectra) that encompass several torsional states require considerably more constants than are requiredExpand
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 48 REFERENCES
Dynamical structure of peptide molecules: Fourier transform microwave spectroscopy and ab initio calculations of N-methylformamide
Abstract Rotational spectra of both trans and cis forms of the N-methylformamide normal as well as deuterated (HCONDCH3, referred to as N–D) species were observed by Fourier transform microwaveExpand
Rotational spectrum and ab initio calculations of N-methylformamide
The microwave spectrum of N-methylformamide has been investigated in the 18–40 GHz frequency range. The rotational spectrum of the conformer with the methyl group cis to the aldehydic oxygen has beenExpand
The effect of deuterium substitution in the amino group on the internal-rotation barrier of acetamide
Abstract Peptide molecules XCO–NYY′ are characterized by low potential barrier V3 to internal rotation of a methyl group substituted for X and/or Y. A most conspicuous example is acetamide, for whichExpand
Detection of acetamide (CH3CONH2) : The largest interstellar molecule with a peptide bond
Acetamide (CH3CONH2) has been detected in emission and absorption toward the star-forming region Sagittarius B2(N) with the 100 m Green Bank Telescope (GBT) by means of four A-species and fourExpand
Gas-phase formation of the prebiotic molecule formamide: insights from new quantum computations
New insights into the formation of interstellar formamide, a species of great relevance in prebiotic chemistry, are provided by electronic structure and kinetic calculations for the reaction NH2 +Expand
Laboratory spectroscopic study and astronomical detection of vibrationally excited n-propyl cyanide
We performed a spectral line survey called Exploring Molecular Complexity with ALMA (EMoCA) toward Sagittarius~B2(N) between 84.1 and 114.4 GHz with the Atacama Large Millimeter/submillimeter ArrayExpand
Rotational spectrum of formamide up to 1 THz and first ISM detection of its ν12 vibrational state
Context. Formamide is the simplest bearer of peptide bond detected in the interstellar medium (ISM). Aims. There is still a lack of laboratory data on its rotational spectrum in the THz domain.Expand
Spectroscopic study and astronomical detection of doubly 13C-substituted ethyl cyanide
We have performed a spectral line survey called EMoCA toward Sagittarius B2(N) between 84 and 114 GHz with ALMA. Line intensities of the main isotopic species of ethyl cyanide and its singlyExpand
The microwave spectrum of methyl isocyanate
Abstract The microwave spectrum of methyl isocyanate, CH3NCO, has been measured in the range from 8 to 40 GHz. More than 200 lines have been assigned to the a-type J + 1 ← J rotational transitions (JExpand
The a-type rotational spectrum of isocyanic acid, HNCO, in the excited bending states
Abstract Rotational transitions of HNCO in the v 4 = 1, v 5 = 1, and v 6 = 1 vibrational states have been measured. The assignment of the a -type q R K and q Q 1 branches has been made with the helpExpand
...
1
2
3
4
5
...