Microwave spectrum of cyanoallene

Bouchy, A.; Demaison, J.; Roussy, G.; Barthélemy, Jean

doi:10.1016/0022-2860(73)85223-8

Cited by 33 publications

(20 citation statements)

References 14 publications

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“…The cyanoallene centimeter-wave spectrum was first reported by Demaison & Roussy (1969), and further measurements of the 14 N hfs and dipole moment were reported by Bouchy et al (1973). The millimeter-wave spectrum was reported by Schwahn et al (1986).…”

Section: Introductionmentioning

confidence: 86%

Hyperfine Structure Identification of Interstellar Cyanoallene toward TMC-1

Lovas¹,

Remijan²,

Hollis³

et al. 2006

ApJ

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Interstellar cyanoallene (CH 2 CCHCN) has been detected with the 100 m Green Bank Telescope (GBT) toward the dark Taurus molecular cloud (TMC-1) by means of the 4 14 -3 13 , 4 04 -3 03 , 5 15 -4 14 , and 5 05 -4 04 rotational transitions at 20.2, 20.6, 25.2, and 25.7 GHz, respectively. The hyperfine structure (hfs) of the 4 14 -3 13 transition is resolved; the remaining transitions have hfs components that are blended but are inferred owing to line width excesses atypical of TMC-1. An analysis of these four rotational transitions yields an average column density N T p 2.0(5) #1012 cm Ϫ2 at an assumed rotational temperature of 4 K. The cyanoallene isomer methylcyanoacetylene (CH 3 CCCN) has previously been observed in TMC-1 and found to have a rotational temperature of ∼4 K by other investigators. Using the GBT, the K p 0 and K p 1 structure of the J K p 5 K -4 K transition of methylcyanoacetylene was resolved toward TMC-1 and a total column density of N T p 4.5(4) #10 11 cm Ϫ2 was obtained for the 4 K rotational temperature. Thus, cyanoallene appears to be more abundant than methylcyanoacetylene toward TMC-1 by a factor of ∼4.5. The implications of this result are discussed in terms of relative bonding energy differences and possible differences in formation chemistry.

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Section: Introductionmentioning

confidence: 86%

Hyperfine Structure Identification of Interstellar Cyanoallene toward TMC-1

Lovas¹,

Remijan²,

Hollis³

et al. 2006

ApJ

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“…Dipole moments are from McNaughton et al (1988). CH 2 CCHCN: Spectroscopic line parameters were obtained using MADEX by fitting the rotational lines reported by Bouchy et al (1973) and Schwahn et al (1986). Dipole moment is from Bouchy et al (1973).…”

Section: Transitionmentioning

confidence: 99%

A study of C₄H₃N isomers in TMC-1: Line by line detection of HCCCH₂CN

Marcelino

Tercero

Agúndez

et al. 2021

A&A

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We present Yebes 40 m telescope observations of the three most stable C4H3N isomers towards the cyanopolyyne peak of TMC-1. We have detected 13 transitions from CH3C3N (A and E species), 16 lines from CH2CCHCN, and 27 lines (a-type and b-type) from HCCCH2CN. We thus provide a robust confirmation of the detection of HCCCH2CN and CH2CCHCN in space. We have constructed rotational diagrams for the three species and obtained rotational temperatures between 4 and 8 K as well as similar column densities for the three isomers, in the range (1.5−3) × 1012 cm−2. Our chemical model provides abundances of the order of the observed ones, although it overestimates the abundance of CH3CCCN and underestimates that of HCCCH2CN. The similarity of the observed abundances of the three isomers suggests a common origin, most probably involving reactions of the radical CN with the unsaturated hydrocarbons methyl acetylene and allene. Studies of reaction kinetics at low temperatures and further observations of these molecules in different astronomical sources are needed to draw a clear picture of the chemistry of C4H3N isomers in space.

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“…In addition to transitions of 4-iodopyrazole, the observed spectrum displays many peaks that assign to molecules formed by the fragmentation of the precursor. These included (HCN) 2 , 41,42 CH 3 CN, 43 CH 3 CCCN, 44,45 HC 3 N, [46][47][48] HC 5 N, 49 HC 7 N, 50 HC 9 N, 51 ICN, 52 ICCCN, 53 CH 2 (CN) 2 , 54,55 cyanoallene, 56,57 and vinyl cyanide (CH 2 = =CHCN). 58,59 There was evidence of (H 2 O) 2 , which is presumed to be a result of the contamination of the gas lines behind the valve by small amounts of H 2 O impurity.…”

Section: A Qualitative Observationsmentioning

confidence: 99%

Halogen bonding properties of 4-iodopyrazole and 4-bromopyrazole explored by rotational spectroscopy and ab initio calculations

Cooper

Littlefair

Penfold

et al. 2017

The Journal of Chemical Physics

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The combination of halogen- and hydrogen-bonding capabilities possessed by 4-bromopyrazole and 4-iodopyrazole has led to them being described as "magic bullets" for biochemical structure determination. Laser vaporisation was used to introduce each of these 4-halopyrazoles into an argon gas sample undergoing supersonic expansion prior to the recording of the rotational spectra of these molecules by chirped-pulse Fourier transform microwave spectroscopy. Data were obtained for four isotopologues of 4-bromopyrazole and two isotopologues of 4-iodopyrazole. Isotopic substitutions were achieved at the hydrogens attached to the pyrrolic nitrogen atoms of both 4-halopyrazoles and at the bromine atom of 4-bromopyrazole. The experimentally determined nuclear quadrupole coupling constants, χ(X) and χ(X)-χ(X), of the halogen atoms (where X is the halogen atom) of each molecule are compared with the results of the ab initio calculations and those for a range of other halogen-containing molecules. It is concluded that each of 4-bromopyrazole and 4-iodopyrazole will form halogen bonds that are broadly comparable in strength to those formed by CHX and CFX.

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Microwave spectrum of cyanoallene

Cited by 33 publications

References 14 publications

Hyperfine Structure Identification of Interstellar Cyanoallene toward TMC-1

Hyperfine Structure Identification of Interstellar Cyanoallene toward TMC-1

A study of C₄H₃N isomers in TMC-1: Line by line detection of HCCCH₂CN

Halogen bonding properties of 4-iodopyrazole and 4-bromopyrazole explored by rotational spectroscopy and ab initio calculations

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Microwave spectrum of cyanoallene

Cited by 33 publications

References 14 publications

Hyperfine Structure Identification of Interstellar Cyanoallene toward TMC-1

Hyperfine Structure Identification of Interstellar Cyanoallene toward TMC-1

A study of C4H3N isomers in TMC-1: Line by line detection of HCCCH2CN

Halogen bonding properties of 4-iodopyrazole and 4-bromopyrazole explored by rotational spectroscopy and ab initio calculations

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A study of C₄H₃N isomers in TMC-1: Line by line detection of HCCCH₂CN