Rotational spectrum of butyronitrile: Dipole moment, centrifugal distortion constants and energy difference between conformers

Context. The discovery of amino acids in meteorites fallen to Earth and the detection of glycine, the simplest of them, in samples returned from a comet to Earth strongly suggest that the chemistry of the interstellar medium is capable of producing such complex organic molecules and that they may be widespread in our Galaxy. Aims. Our goal is to investigate the degree of chemical complexity that can be reached in the interstellar medium, in particular in dense star-forming regions. Methods. We performed an unbiased, spectral line survey toward Sgr B2(N) and (M), two regions where high-mass stars are formed, with the IRAM 30 m telescope in the 3 mm atmospheric transmission window. Partial surveys at 2 and 1.3 mm were performed in parallel. The spectra were analyzed with a simple radiative transfer model that assumes local thermodynamic equilibrium but takes optical depth effects into account. Results. About 3675 and 945 spectral lines with a peak signal-to-noise ratio higher than 4 are detected at 3 mm toward Sgr B2(N) and (M), i.e. about 102 and 26 lines per GHz, respectively. This represents an increase by about a factor of two over previous surveys of Sgr B2. About 70% and 47% of the lines detected toward Sgr B2(N) and (M) are identified and assigned to 56 and 46 distinct molecules as well as to 66 and 54 less abundant isotopologues of these molecules, respectively. In addition, we report the detection of transitions from 59 and 24 catalog entries corresponding to vibrationally or torsionally excited states of some of these molecules, respectively, up to a vibration energy of 1400 cm −1 (2000 K). Excitation temperatures and column densities were derived for each species but should be used with caution. The rotation temperatures of the detected complex molecules typically range from ∼50 to 200 K. Among the detected molecules, aminoacetonitrile, n-propyl cyanide, and ethyl formate were reported for the first time in space based on this survey, as were five rare isotopologues of vinyl cyanide, cyanoacetylene, and hydrogen cyanide. We also report the detection of transitions from within twelve new vibrationally or torsionally excited states of known molecules. Absorption features produced by diffuse clouds along the line of sight are detected in transitions with low rotation quantum numbers of many simple molecules and are modeled with ∼30-40 velocity components with typical linewidths of ∼3-5 km s −1 . Conclusions. Although the large number of unidentified lines may still allow future identification of new molecules, we expect most of these lines to belong to vibrationally or torsionally excited states or to rare isotopologues of known molecules for which spectroscopic predictions are currently missing. Significant progress in extending the inventory of complex organic molecules in Sgr B2(N) and deriving tighter constraints on their location, origin, and abundance is expected in the near future thanks to an ongoing spectral line survey at 3 mm with ALMA in its cycles 0 and 1. The present single-dish surve...

show abstract

“…Transition frequencies related to the range of our survey were published by Wlodarczak et al (1988).…”

Section: Ethanol C 2 H 5 Ohmentioning

confidence: 99%

Complex organic molecules in the interstellar medium: IRAM 30 m line survey of Sagittarius B2(N) and (M)

Беллоче

Müller

Menten

et al. 2013

A&A

385

523

View full text Add to dashboard Cite

show abstract

“…Both n-and i-propyl cyanide isomer are detected (spectroscopic data are provided by Demaison & Dreizler 1982;Vormann & Dreizler 1988;Wlodarczak et al 1988, for the n isomer and by Müller et al 2011, for the i isomer). We mainly detect them towards IRc7, IRc21, MF2, and MF10, with a tentative detection of the n isomer towards EGP (Figs.…”

Section: Propyl Cyanide C 3 H 7 Cnmentioning

confidence: 99%

The complexity of Orion: an ALMA view

Pagani

Favre

Goldsmith

et al. 2017

A&A

View full text Add to dashboard Cite

Context. We wish to improve our understanding of the Orion central star formation region (Orion-KL) and disentangle its complexity. Aims. We collected data with ALMA during cycle 2 in 16 GHz of total bandwidth spread between 215.1 and 252.0 GHz with a typical sensitivity of 5 mJy/beam (2.3 mJy/beam from 233.4 to 234.4 GHz) and a typical beam size of 1 . 7 × 1 . 0 (average position angle of 89 • ). We produced a continuum map and studied the emission lines in nine remarkable infrared spots in the region including the hot core and the compact ridge, plus the recently discovered ethylene glycol peak. Methods. We present the data, and report the detection of several species not previously seen in Orion, including n-and i-propyl cyanide (C 3 H 7 CN), and the tentative detection of a number of other species including glycolaldehyde (CH 2 (OH)CHO). The first detections of gGg ethylene glycol (gGg (CH 2 OH) 2 ) and of acetic acid (CH 3 COOH) in Orion are presented in a companion paper. We also report the possible detection of several vibrationally excited states of cyanoacetylene (HC 3 N), and of its 13 C isotopologues. We were not able to detect the 16 O 18 O line predicted by our detection of O 2 with Herschel, due to blending with a nearby line of vibrationally excited ethyl cyanide. We do not confirm the tentative detection of hexatriynyl (C 6 H) and cyanohexatriyne (HC 7 N) reported previously, or of hydrogen peroxide (H 2 O 2 ) emission. Results. We report a complex velocity structure only partially revealed before. Components as extreme as −7 and +19 km s −1 are detected inside the hot region. Thanks to different opacities of various velocity components, in some cases we can position these components along the line of sight. We propose that the systematically redshifted and blueshifted wings of several species observed in the northern part of the region are linked to the explosion that occurred ∼500 yr ago. The compact ridge, noticeably farther south displays extremely narrow lines (∼1 km s −1 ) revealing a quiescent region that has not been affected by this explosion. This probably indicates that the compact ridge is either over 10 000 au in front of or behind the rest of the region. Conclusions. Many lines remain unidentified, and only a detailed modeling of all known species, including vibrational states of isotopologues combined with the detailed spatial analysis offered by ALMA enriched with zero-spacing data, will allow new species to be detected.

show abstract

“…n-Propyl cyanide frequencies n-Butanenitrile, C 3 H 7 CN, is more commonly known as n-propyl cyanide or n-butyronitrile. Its rotational spectrum has been investigated in the microwave (Hirota 1962;Demaison & Dreizler 1982;Vormann & Dreizler 1988) and in the millimeter wave regions up to 284 GHz (Włodarczak et al 1988). The n indicates the normal isomer with the carbon atoms forming a chain, in contrast to the iso isomer which has a branched structure.…”

Section: Identification Of N-propyl Cyanidementioning

confidence: 99%

“…In the initial fits transition frequencies were taken from all four studies (Hirota 1962;Demaison & Dreizler 1982;Włodarczak et al 1988;Vormann & Dreizler 1988). Two b-type transitions from Włodarczak et al (1988) were omitted from the fits as suggested in the erratum to this paper (Włodarczak et al 1991).…”

Section: Identification Of N-propyl Cyanidementioning

confidence: 99%

“…Two b-type transitions from Włodarczak et al (1988) were omitted from the fits as suggested in the erratum to this paper (Włodarczak et al 1991). On the other hand, transition frequencies not given in Vormann & Dreizler (1988), but deposited at the library of the University of Kiel were obtained from there and included in the fits.…”

Section: Identification Of N-propyl Cyanidementioning

confidence: 99%

See 1 more Smart Citation

Increased complexity in interstellar chemistry: detection and chemical modeling of ethyl formate andn-propyl cyanide in Sagittarius B2(N)

Беллоче

Garrod

Müller

et al. 2009

A&A

242

300

View full text Add to dashboard Cite

Context. In recent years, organic molecules of increasing complexity have been found toward the prolific Galactic center source Sagittarius B2. Aims. We wish to explore the degree of complexity that the interstellar chemistry can reach in star-forming regions. Methods. 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, plus partial surveys at 2 and 1.3 mm. We analyzed this spectral survey in the local thermodynamical equilibrium 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.Results. We report the first detection in space of ethyl formate (C 2 H 5 OCHO) and n-propyl cyanide (C 3 H 7 CN) toward Sgr B2(N). The detection of n-propyl cyanide is based on refined spectroscopic parameters derived from combined analyses of available laboratory spectroscopic data. For each molecule, we identified spectral features at the predicted frequencies having intensities compatible with a unique rotation temperature. For an assumed source size of 3 , our modeling yields a column density of 5.4 × 10 16 cm −2 , a temperature of 100 K, and a linewidth of 7 km s −1 for ethyl formate. n-Propyl cyanide is detected with two velocity components having column densities of 1.5 × 10 16 cm −2 and 6.6 × 10 15 cm −2 , respectively, for a source size of 3 , a temperature of 150 K, and a linewidth of 7 km s −1 . The abundances of ethyl formate and n-propyl cyanide relative to H 2 are estimated to be 3.6 × 10 −9 and 1.0 × 10 −9 , respectively. We derived column density ratios of 0.8/15/1 for the related species t-HCOOH/CH 3 OCHO/C 2 H 5 OCHO and 108/80/1 for CH 3 CN/C 2 H 5 CN/C 3 H 7 CN. Our chemical modeling reproduces these ratios reasonably well. It 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 CH 3 to functional-group radicals derived from methyl formate, although ethanol may also be a precursor. Conclusions. 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.

show abstract

Rotational spectrum of butyronitrile: Dipole moment, centrifugal distortion constants and energy difference between conformers

Cited by 45 publications

References 15 publications

Complex organic molecules in the interstellar medium: IRAM 30 m line survey of Sagittarius B2(N) and (M)

Complex organic molecules in the interstellar medium: IRAM 30 m line survey of Sagittarius B2(N) and (M)

The complexity of Orion: an ALMA view

Increased complexity in interstellar chemistry: detection and chemical modeling of ethyl formate andn-propyl cyanide in Sagittarius B2(N)

Contact Info

Product

Resources

About