Laboratory spectroscopy of 1, 2-propanediol at millimeter and submillimeter wavelengths

Bossa, Jean-Baptiste; Ordu, Matthias H.; Müller, H. S. P.; Lewen, Frank

doi:10.1051/0004-6361/201424320

Cited by 20 publications

(25 citation statements)

References 29 publications

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“…Source frequencies were generated using a Virginia Diodes, Inc. (VDI) tripler driven by the synthesizer mentioned above. The measurements were similar to the ones of 1,2-propanediol (Bossa et al 2014) and mono-deuterated ethanol (Walters et al 2015) taken at lower frequencies. We assigned uncertainties from 5 to 20 kHz to these lines because the lines were so narrow at these low frequencies and because of the good signal-to-noise ratios (S/Ns).…”

Section: Methodssupporting

confidence: 74%

Rotational spectra of isotopic species of methyl cyanide, CH₃CN, in theirv₈= 1 excited vibrational states

Müller

Drouin

Pearson

et al. 2016

A&A

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Context. Methyl cyanide is an important trace molecule in space, especially in star-forming regions where it is one of the more common molecules used to derive kinetic temperatures. Aims. We want to obtain accurate spectroscopic parameters of minor isotopologs of methyl cyanide in their lowest excited 8 = 1 vibrational states to support astronomical observations, in particular, with interferometers such as ALMA. Methods. The laboratory rotational spectrum of methyl cyanide in natural isotopic composition has been recorded from the millimeter to the terahertz regions. Results. Transitions with good signal-to-noise ratios could be identified for the three isotopic species CH 13 3 CN, 13 CH 3 CN, and CH 3 C 15 N up to about 1.2 THz (J ≤ 66). Accurate spectroscopic parameters were obtained for all three species. Conclusions. The present data were already instrumental in identifying 8 = 1 lines of methyl cyanide with one 13 C in IRAM 30 m and ALMA data toward Sagittarius B2(N).

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Section: Methodssupporting

confidence: 74%

Rotational spectra of isotopic species of methyl cyanide, CH₃CN, in theirv₈= 1 excited vibrational states

Müller

Drouin

Pearson

et al. 2016

A&A

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“…Except for 12BD, rotational spectroscopy investigations are reported for all linear diols containing up to four carbon atoms as follows: ethylene glycol or 1,2-ethanediol (12ED; Marstokk & Møllendal 1974;Walder et al 1980;Christen et al 1995Christen et al , 2001Christen & Müller 2003;Müller & Christen 2004), 1,2-propanediol (12PD;Caminati 1981;Lockley et al 2002;Lovas et al 2009;Bossa et al 2014), 1,3-propanediol (13PD; Caminati et al 1995;Plusquellic et al 2009), 1,3-butanediol (13BD; Caminati & Corbelli 1982;Velino et al 2011), 2,3butanediol (23BD;Paul et al 2007), and 1,4-butanediol (14BD; Evangelisti et al 2013).…”

Section: Conformational Analysismentioning

confidence: 99%

Millimeter-wave spectroscopy and modeling of 1,2-butanediol

Vigorito

Calabrese

Melandri

et al. 2018

A&A

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Context. The continuously enhanced sensitivity of radioastronomical observations allows the detection of increasingly complex organic molecules. These systems often exist in a large number of isomers leading to very congested spectra. Aims. We explore the conformational space of 1,2-butanediol and provide sets of spectroscopic parameters to facilitate searches for this molecule at millimeter wavelengths. Methods. We recorded the rotational spectrum of 1,2-butanediol in the 59.6–103.6 GHz frequency region (5.03–2.89 mm) using a free-jet millimeter-wave absorption spectrometer, and we analyzed the properties of 24 isomers with quantum chemical calculations. Selected measured transition lines were then searched on publicly available ALMA Band 3 data on IRAS 16293-2422 B. Results. We assigned the spectra of six conformers, namely aG′Ag, gG′Aa, g′G′Ag, aG′G′g, aG′Gg, and g′GAa, to yield the rotational constants and centrifugal distortion constants up to the fourth or sixth order. The most intense signal belong to the aG′Ag species, that is the global minimum. Search for the corresponding 30x,30 − 29x,29 transition lines toward IRAS 16293-2422 B was unsuccessful. Conclusions. Our present data will be helpful for identifying 1,2-butanediol at millimeter wavelengths with radio telescope arrays. Among all possible conformers, first searches should be focused on the aG′Ag conformers in the 400–800 GHz frequency spectral range.

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“…The entire region between 89.25 and 126.75 GHz was covered similarly using a Virginia Diode, Inc. (VDI) tripler driven by a Rohde & Schwarz SMF 100A synthesizer as source and a Schottky diode detector. The point spacing in this frequency region was 60 kHz, and the integration time per point was again 20 ms with scans in both directions Further details on the spectrometer system are available elsewhere (Bossa et al 2014;Walters et al 2015).…”

Section: Laboratory Spectroscopic Detailsmentioning

confidence: 99%

Laboratory spectroscopic study and astronomical detection of vibrationally excitedn-propyl cyanide

Müller

Walters

Wehres

et al. 2016

A&A

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Context. 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 Array (ALMA) in its Cycles 0 and 1. We determined line intensities of n-propyl cyanide in the ground vibrational states of its gauche and anti conformers toward the hot molecular core Sagittarius B2(N2) which suggest that we should also be able to detect transitions pertaining to excited vibrational states. Aims. We wanted to determine spectroscopic parameters of low-lying vibrational states of both conformers of n-propyl cyanide to search for them in our ALMA data. Methods. We recorded laboratory rotational spectra of n-propyl cyanide in two spectral windows between 36 and 127 GHz. We searched for emission lines produced by these states in the ALMA spectrum of Sagittarius B2(N2). We modeled their emission and the emission of the ground vibrational states assuming local thermodynamic equilibrium (LTE). Results. We have made extensive assignments of a-and b-type transitions of the four lowest vibrational states of the gauche conformer which reach J and K a quantum numbers of 65 and 20, respectively. We assigned mostly a-type transitions for the anti conformer with J and K a quantum numbers up to 48 and 24, respectively. Rotational and Fermi perturbations between two anti states allowed us to determine their energy difference. The resulting spectroscopic parameters enabled us to identify transitions of all four vibrational states of each conformer in our ALMA data. The emission features of all states, including the ground vibrational state, are wellreproduced with the same LTE modeling parameters, which gives us confidence in the reliability of the identifications, even for the states with only one clearly detected line. Conclusions. Emission features pertaining to the highest excited vibrational states of n-propyl cyanide reported in this work have been identified just barely in our present ALMA data. Features of even higher excited vibrational states may become observable in future, more sensitive ALMA spectra to the extent that the confusion limit will not have been reached. The 13 C isotopomers of this molecule are expected to be near the noise floor of our present ALMA data. We estimate that transitions of vibrationally excited iso-propyl cyanide or aminoacetonitrile, for example, are near the noise floor of our current data as well.

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Laboratory spectroscopy of 1, 2-propanediol at millimeter and submillimeter wavelengths

Cited by 20 publications

References 29 publications

Rotational spectra of isotopic species of methyl cyanide, CH₃CN, in theirv₈= 1 excited vibrational states

Rotational spectra of isotopic species of methyl cyanide, CH₃CN, in theirv₈= 1 excited vibrational states

Millimeter-wave spectroscopy and modeling of 1,2-butanediol

Laboratory spectroscopic study and astronomical detection of vibrationally excitedn-propyl cyanide

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Laboratory spectroscopy of 1, 2-propanediol at millimeter and submillimeter wavelengths

Cited by 20 publications

References 29 publications

Rotational spectra of isotopic species of methyl cyanide, CH3CN, in theirv8= 1 excited vibrational states

Rotational spectra of isotopic species of methyl cyanide, CH3CN, in theirv8= 1 excited vibrational states

Millimeter-wave spectroscopy and modeling of 1,2-butanediol

Laboratory spectroscopic study and astronomical detection of vibrationally excitedn-propyl cyanide

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Product

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Rotational spectra of isotopic species of methyl cyanide, CH₃CN, in theirv₈= 1 excited vibrational states

Rotational spectra of isotopic species of methyl cyanide, CH₃CN, in theirv₈= 1 excited vibrational states