Detection of the heavy interstellar molecule cyanodiacetylene

Avery, L. W.; Broten, N. W.; MacLeod, J. M.; Oka, Takeshi; Kroto, Harold W.

doi:10.1086/182117

Cited by 181 publications

(94 citation statements)

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“…It was detected for the first time in the interstellar medium by Avery et al (1976) in Sgr B2. Later it was also detected in several dark clouds and in Orion KL by Bujarrabal et al (1981) at wavelengths near 3 mm.…”

Section: Hc 5 Nmentioning

confidence: 91%

Combined IRAM andHerschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC₃N

Esplugues

Cernicharo

Viti

et al. 2013

A&A

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Context. We present a study of cyanoacetylene (HC 3 N) and cyanodiacetylene (HC 5 N) in Orion KL using observations from two line surveys performed with the IRAM 30-m telescope and the HIFI instrument onboard the Herschel telescope. The frequency ranges covered are 80−280 GHz and 480−1906 GHz. Aims. This study (divided by families of molecules) is part of a global analysis of the physical conditions of Orion KL and the molecular abundances in the different components of this cloud. Methods. We modeled the observed lines of HC 3 N, HC 5 N, their isotopologues (including DC 3 N), and vibrational modes using a non-local thermodynamic equilibrium (non-LTE) radiative transfer code. In addition, to investigate the chemical origin of HC 3 N and DC 3 N in Orion KL, we used a time-dependent chemical model. Results. We detect 40 lines of the ground vibrational state of HC 3 N and 68 lines of its 13 C isotopologues. We also detect 297 lines of six vibrational modes of this molecule (ν 7 , 2ν 7 , 3ν 7 , ν 6 , ν 5 , and ν 6 +ν 7 ) and 35 rotational lines of the ground vibrational state of HC 5 N. We report the first tentative detection of DC 3 N in a giant molecular cloud. We have obtained a DC 3 N/HC 3 N abundance ratio of 0.015 ± 0.009, similar to typical D/H ratios of cold dark clouds. We provide column densities for all species and derived isotopic and molecular abundances. We also made a 2 × 2 map around Orion IRc2 and present maps of the HC 3 N lines with energies from 34 to 154 K and of the HC 3 N vibrational modes ν 6 and ν 7 with energies between 354 and 872 K. In addition, a comparison of our results for HC 3 N with those in other clouds has allowed us to derive correlations between the column density, the FWHM, the mass, and the luminosity of the clouds. Conclusions. The high column densities of HC 3 N obtained in the hot core, in particular of the ground vibrational state and the vibrational mode ν 7 , make this molecule an excellent tracer of hot and dense gas. In addition, the wide frequency range covered reveals the need to consider a temperature and density gradient in the hot core to obtain better line fits. The high D/H ratio (similar to that obtained in cold clouds) that we derive suggests a deuterium enrichment. Our chemical models indicate that the possible deuterated HC 3 N in Orion KL is formed during the gas-phase. This fact provides new hints concerning the processes leading to deuteration.

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Section: Hc 5 Nmentioning

confidence: 91%

Combined IRAM andHerschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC₃N

Esplugues

Cernicharo

Viti

et al. 2013

A&A

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“…Several series of nitriles exist in the ISM. One example is the H(C≡C) n -C≡N series, where members with n in the range 0 to 5 have been identified (Snyder & Buhl 1971;Turner 1971;Avery et al 1976;Broten et al 1976Broten et al , 1978Kroto et al 1978;Little et al 1978;Winnewisser & Walmsley 1978;Bell et al 1997). Another similar series includes the methyl group (CH 3 ).…”

Section: Introductionmentioning

confidence: 99%

Rotational spectrum of ethyl cyanoacetylene (C₂H₅C≡C–C≡N), a compound of potential astrochemical interest

Carles¹,

Møllendal²,

Guillemin³

2013

A&A

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Context. New radiotelescopes, such as the very sensitive ALMA, will enable the detection of interstellar molecules in much lower concentrations than previously possible. A successful identification of an interstellar molecule requires that laboratory microwave and millimeter-wave spectra are investigated. Several cyanopolyynes and alkynylcarbonitriles have already been detected in the interstellar medium (ISM). Cyanoacetylene (HC≡C-C≡N) is abundant in the ISM and its methyl derivative, 2-butynenitrile (CH 3 C≡C-C≡N), is also present. The next derivative, ethyl cyanoacetylene, (2-pentynenitrile C 2 H 5 C≡C-C≡N) may also be present in interstellar space. Aims. We report the rotational spectrum of the ethyl cyanoacetylene (C 2 H 5 C≡C-C≡N). This is hoped to facilitate identifying gaseous ethyl cyanoacetylene in the ISM. Methods. We studied the rotational spectrum of C 2 H 5 C≡C-C≡N between 13 and 116 GHz with the microwave spectrometer of the University of Oslo. The spectroscopic study was augmented by high-level quantum-chemical calculations at B3LYP/cc-pVTZ and CCSD/cc-pVTZ levels of theory.Results. We present for the first time the rotational spectrum of the ethyl cyanoacetylene (C 2 H 5 C≡C-C≡N). We assigned 342 transitions of the vibrational ground state, accurate values were obtained for rotational and centrifugal distortion constants, and the dipole moment was determined as well.

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“…The study of carbon chain molecules with high resolution is part of a program which we have started with the aim to measure and interpret the high resolution infrared spectra of molecules of astrophysical interest. The linear molecule cyano acetylene, HC3N, is next to HCN the lowest member of the remarkable carbon chain molecules HC5N, HC7N and HC9N which all have been detected in interstellar and circumstellar molecular clouds by radio astronomy [2][3][4][5]. Therefore, HC3N was chosen as the first molecule to be investigated by diode laser spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

Diode Laser Spectrum of HCCCN near 5 pm * The Hot Band

Yamada

Winnewisser

1981

Zeitschrift Für Naturforschung A

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Two hot bands associated with the vs vibration-rotation band of cyanoacetylene, HC3N, have been measured with a diode laser spectrometer in the 2060-2100 cm-1 range. Since the width of the observed lines is essentially determined by Doppler broadening, the splitting of the hot band rovibrational transitions due to /-type doubling could be resolved and was assigned. Improved spectral parameters were obtained, including the anharmonicity parameters.

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Detection of the heavy interstellar molecule cyanodiacetylene

Cited by 181 publications

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Combined IRAM andHerschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC₃N

Combined IRAM andHerschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC₃N

Rotational spectrum of ethyl cyanoacetylene (C₂H₅C≡C–C≡N), a compound of potential astrochemical interest

Diode Laser Spectrum of HCCCN near 5 pm * The Hot Band

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Detection of the heavy interstellar molecule cyanodiacetylene

Cited by 181 publications

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Combined IRAM andHerschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC3N

Combined IRAM andHerschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC3N

Rotational spectrum of ethyl cyanoacetylene (C2H5C≡C–C≡N), a compound of potential astrochemical interest

Diode Laser Spectrum of HCCCN near 5 pm * The Hot Band

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Combined IRAM andHerschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC₃N

Combined IRAM andHerschel/HIFI study of cyano(di)acetylene in Orion KL: tentative detection of DC₃N

Rotational spectrum of ethyl cyanoacetylene (C₂H₅C≡C–C≡N), a compound of potential astrochemical interest