Rotational Spectra of cis-HCOOH, trans-HCOOH, and trans-H13COOH

Winnewisser, M.; Winnewisser, Brenda P.; Stein, Monika; Birk, Manfred; Wagner, Georg; Winnewisser, G.; Yamada, Kōichi; Belov, S. P.; Баскаков, О. І.

doi:10.1006/jmsp.2002.8590

Cited by 67 publications

(61 citation statements)

References 14 publications

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“…We use the CDMS entry (tag 46 506 version 1) which is based on Winnewisser et al (2002), with additional data in the range of our survey mainly from Bellet et al (1971).…”

Section: Formic Acid T-hcoohmentioning

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

390

523

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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...

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“…We use the CDMS entry (tag 46 506 version 1) which is based on Winnewisser et al (2002), with additional data in the range of our survey mainly from Bellet et al (1971).…”

Section: Formic Acid T-hcoohmentioning

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

390

523

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“…While H ROT is briefly addressed in the spectra-analysis section, but for all details we refer the reader to Winnewisser et al (2002), the description of the other two Hamiltonians is provided below. The spin-rotation Hamiltonian,…”

Section: Hyperfine Structure Of the Rotational Spectrummentioning

confidence: 99%

“…Both rotamers are near prolate asymmetric tops with a planar structure and C s symmetry (Winnewisser et al 2002). The cis-rotamer lies approximately 1365(30) cm −1 (Hocking 1976) higher in energy than the trans form; therefore, the latter is about 800 times more abundant at room temperature.…”

Section: Introductionmentioning

confidence: 97%

“…The microwave and millimeter-wave rotational spectrum of formic acid has been studied since the 50s, but only quite recently Winnewisser et al (2002) have reported measurements in the 835−993 GHz frequency range with an accuracy of 50−100 kHz and in the 1−2.9 THz frequency region with an uncertainty of 5 MHz. We also refer the reader to Winnewisser et al (2002) for an exhaustive description of previous laboratory A&A 520, A64 (2010) measurements.…”

Section: Introductionmentioning

confidence: 99%

“…We also refer the reader to Winnewisser et al (2002) for an exhaustive description of previous laboratory A&A 520, A64 (2010) measurements. There is only one study of the hyperfine structure of the rotational spectrum reporting radio-frequencies measured with a molecular-beam spectrometer with an accuracy of 0.15 kHz (Chardon et al 1976).…”

Section: Introductionmentioning

confidence: 99%

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Hyperfine structure in the rotational spectra of trans-formic acid: Lamb-dip measurements and quantum-chemical calculations

Cazzoli

Puzzarini

Stopkowicz

et al. 2010

A&A

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Context. Formic acid, HCOOH, is the simplest organic acid and the first that has been identified in the interstellar medium. Its astrophysical relevance has motivated this spectroscopic study. Aims. The aim of this investigation is to provide very accurate rest frequencies for the trans isomer of HCOOH as well as to improve the spectroscopic and hyperfine parameters available in the literature for this molecule. Methods. The Lamb-dip technique has been exploited in order to record the rotational spectrum of trans-HCOOH at sub-Doppler resolution in the millimeter-and submillimeter-wave frequency ranges and, when possible, to resolve the hyperfine structure due to the hydrogen nuclei. THz measurements have been carried out as well. The experimental investigation has been supported by high-level quantum-chemical calculations.Results. As a consequence, we report here the most accurate ground-state rotational parameters known so far for the main isotopic species of trans-HCOOH as well as an accurate and reliable set of hyperfine parameters. Conclusions. The improvement in the accuracy of the ground-state rotational and hyperfine parameters as well as of the rest frequencies of rotational transitions might therefore be useful for future radioastronomical observations.

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Competition Between Intra‐ and Intermolecular Hydrogen Bonding:o‐Anisic Acid⋅⋅⋅Formic Acid Heterodimer

Macario

Blanco

Thomas

et al. 2019

Chemistry A European J

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Four conformers of the heterodimer o-anisic acidformic acid, formedi nas upersonic expansion,h ave been probed by Fourier transform microwave spectroscopy.T wo of theseformshave the typical double intermolecularhydrogen-bond cyclic structure. The other two show the o-anisic acid moiety bearing a trans-COOH arrangement supported by an intramolecular OÀH···Ob ond to the neighbor methoxy group. In these conformers, formic acid interacts with o-anisic acid mainly through an intermolecular OÀH···O hy-drogen bond either to the OÀHortothe C=Omoieties, reinforced by other weaki nteractions. Surprisingly,t he most abundantc onformer in the supersonic expansion is the complex in which the o-anisica cid is in trans arrangement with the formic acid interacting with the OÀHg roup. Such a trans-COOH arrangement in which the intramolecular hydrogen bond dominates over the usually observed double intermolecular hydrogen bond interactionh as never been observed previously in an acid-acid dimer.Supporting information and the ORCID identification number(s) for the author(s) of this articlecan be found under: https://doi.

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Rotational Spectra of cis-HCOOH, trans-HCOOH, and trans-H13COOH

Cited by 67 publications

References 14 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)

Hyperfine structure in the rotational spectra of trans-formic acid: Lamb-dip measurements and quantum-chemical calculations

Competition Between Intra‐ and Intermolecular Hydrogen Bonding:o‐Anisic Acid⋅⋅⋅Formic Acid Heterodimer

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