The microwave spectrum of the mono deuterated species of methyl formate

Margulès, L.; Coudert, L. H.; Møllendal, Harald; Guillemin, Jean‐Claude; Huet, T. R.; Janečková, Radmila

doi:10.1016/j.jms.2008.12.007

Cited by 26 publications

(46 citation statements)

References 28 publications

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“…Numbering these two atoms 2 and 3 as in Margulès et al (2009), their nuclear momentum will be I 2 and I 3 , respectively. The matrix of the effective quadrupole coupling Hamiltonian, as given in Eq.…”

Section: Hyperfine Structure Analysismentioning

confidence: 99%

“…These parameters are involved in the pure rotational Hamiltonian in the second of Eqs. (10) of Margulès et al (2009). function Q rot was computed for several temperatures taking a degeneracy factors equal to (2J + 1). The energy of the 0 00 , + level corresponding to the H-out-of-plane configurations was taken to be equal to zero, that of the 0 00 level of the H-in-plane configuration was set to 10 cm −1 as in Sect.…”

Section: Intensity Calculationmentioning

confidence: 99%

“…The spectrum of the mono-deuterated species HCOOCH 2 D has been recorded and analyzed by Margulès et al (2009), but this isotopic variant has not yet been detected in the ISM. The microwave spectrum of the doubly deuterated species HCOOCD 2 H has not been studied yet.…”

Section: Introductionmentioning

confidence: 99%

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The submillimeter-wave spectrum of the doubly deuterated species of methyl formate HCOOCD₂H

Coudert¹,

Margulès

Huet

et al. 2012

A&A

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Context. Astronomical surveys of interstellar molecules, such as those that will be available with the very sensitive ALMA telescope, require preliminary laboratory investigations of the microwave and submillimeter-wave spectra of new molecular species to identify these in the interstellar media. Aims. We build a linelist that should allow us to detect HCOOCD 2 H, provided it is present in the interstellar media in a suitable concentration. Methods. The experimental spectra of HCOOCD 2 H have been recorded in the microwave and submillimeter-wave energy range. Line frequencies were analyzed using an internal axis method-like treatment taking into account the CD 2 H internal rotation. Results. 5933 lines of HCOOCD 2 H have been assigned and their frequencies were reproduced with a unitless standard deviation of 1.6. A linelist with calculated frequencies and intensities was built and spans the 50−660 GHz spectral region. The frequency accuracy is better than 0.1 MHz. Conclusions. The pure rotation spectrum of the CD 2 H-methyl formate isotopolog (HCOOCD 2 H) has been observed in laboratory for the first time.

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Section: Hyperfine Structure Analysismentioning

confidence: 99%

Section: Intensity Calculationmentioning

confidence: 99%

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The submillimeter-wave spectrum of the doubly deuterated species of methyl formate HCOOCD₂H

Coudert¹,

Margulès

Huet

et al. 2012

A&A

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“…Other methanol isotopologues studied recently include CH 2 DOH (Mukhopadhyay et al 2002;Lauvergnat et al 2009), CH 3 OD (Duan et al 2003), and CH 3 18 OH (Fisher et al 2007). Other weed molecules, for which several isotopic species have been investigated, are methyl cyanide ), ethyl cyanide Demyk et al 2007;Margulès et al 2009b), vinyl cyanide (Kisiel et al 2009), methyl formate (Ilyushin et al 2009;Carvajal et al 2009Carvajal et al , 2010Margulès et al 2009aMargulès et al , 2010, formamide , and acetone (Groner et al 2008;Lovas & Groner 2006). Moreover, dimethyl ether (Endres et al 2009), its isomer ethanol , and the only inorganic weed species SO 2 have been studied.…”

Section: Weed Speciesmentioning

confidence: 99%

Division Xii/Commission 14/Working Group on Molecular Data

Federman¹,

Bernath²,

Müller³

2011

Proc. IAU

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The current report covers the period from the second half of 2003 to the first half of 2011, bringing the Working Group's efforts up to date, and is divided into three main sections covering rotational, vibrational, and electronic spectroscopy. Rather than being exhaustive, space limitations only allow us to highlight a representative sample of work on molecular spectra. Related research on collisions, reactions on grain surfaces, and astrochemistry appear in the report by another Working Group. These also recount recent conferences and workshops on molecular astrophysics.

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“…Since its discovery in Sgr B2 (Brown et al 1975;Churchwell et al 1975), extensive spectroscopic studies have been carried out for the main species (Bauder 1979;Demaison et al 1983;Plummer et al 1984Plummer et al , 1986Oesterling et al 1999;Karakawa et al 2001;Ogata et al 2004;Carvajal et al 2007;Maeda et al 2008b;Ilyushin et al 2009;Full Tudorie et al 2012;Kobayashi et al 2013) and for its isotopologs (Curl 1959;Oesterling et al 1995;Willaert et al 2006;Maeda et al 2008a,b;Margulès et al 2009Margulès et al , 2010Carvajal et al 2009Carvajal et al , 2010Coudert et al 2012Coudert et al , 2013Tercero et al 2012;Haykal et al 2014). This spectroscopic database for the methyl formate molecule has given rise to an increasing identification of the spectral lines in different interstellar surveys.…”

Section: Introductionmentioning

confidence: 99%

THz extended spectrum of the monodeuterated methyl formate (DCOOCH₃)

Duan

Carvajal

et al. 2015

A&A

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Context. Laboratory spectral recordings and an accurate molecular spectral analysis of any potential interstellar molecule are essential for generating a complete spectroscopic line list. This permits predicting the frequencies and intensities of any transition so that subsequently, it can be identified in the interstellar medium. Aims. Our analysis of DCOOCH 3 aims to provide a comprehensive spectral catalog that encompasses as much as possible the frequency coverage of the new-generation far-IR and submillimeter wave observation facilities. Methods. We newly measured the rotational spectrum of DCOOCH 3 in the laboratory of the Jet Propulsion Laboratory in the frequency range of 0.85 to 1.5 THz. We jointly analyzed the new data with literature data using the rho axis method, which is a tool developed for the spectral analysis of molecules with large-amplitude internal CH 3 rotors. Results. We fit 27 spectroscopic constants of DCOOCH 3 to 3763 transitions with highest values of J = 69 and K a = 36 of the ground torsional state with a standard (unitless) deviation of 0.97. With respect to previous work, this is a significantly better result that was obtained with 2060 more transitions, and we also achieved a better accuracy for the new parameter values.

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The microwave spectrum of the mono deuterated species of methyl formate

Cited by 26 publications

References 28 publications

The submillimeter-wave spectrum of the doubly deuterated species of methyl formate HCOOCD₂H

The submillimeter-wave spectrum of the doubly deuterated species of methyl formate HCOOCD₂H

Division Xii/Commission 14/Working Group on Molecular Data

THz extended spectrum of the monodeuterated methyl formate (DCOOCH₃)

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The microwave spectrum of the mono deuterated species of methyl formate

Cited by 26 publications

References 28 publications

The submillimeter-wave spectrum of the doubly deuterated species of methyl formate HCOOCD2H

The submillimeter-wave spectrum of the doubly deuterated species of methyl formate HCOOCD2H

Division Xii/Commission 14/Working Group on Molecular Data

THz extended spectrum of the monodeuterated methyl formate (DCOOCH3)

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Product

Resources

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The submillimeter-wave spectrum of the doubly deuterated species of methyl formate HCOOCD₂H

The submillimeter-wave spectrum of the doubly deuterated species of methyl formate HCOOCD₂H

THz extended spectrum of the monodeuterated methyl formate (DCOOCH₃)