Literature DB >> 33828331

Discovery of the acetyl cation, CH3CO+, in space and in the laboratory.

J Cernicharo1, C Cabezas1, S Bailleux2, L Margulès2, R Motiyenko2, L Zou2, Y Endo3, C Bermúdez1, M Agúndez1, N Marcelino1, B Lefloch4, B Tercero5,6, P de Vicente5.   

Abstract

Using the Yebes 40m and IRAM 30m radiotelescopes, we detected two series of harmonically related lines in space that can be fitted to a symmetric rotor. The lines have been seen towards the cold dense cores TMC-1, L483, L1527, and L1544. High level of theory ab initio calculations indicate that the best possible candidate is the acetyl cation, CH3CO+, which is the most stable product resulting from the protonation of ketene. We have produced this species in the laboratory and observed its rotational transitions Ju = 10 up to Ju = 27. Hence, we report the discovery of CH3CO+ in space based on our observations, theoretical calculations, and laboratory experiments. The derived rotational and distortion constants allow us to predict the spectrum of CH3CO+ with high accuracy up to 500 GHz. We derive an abundance ratio N(H2CCO)/N(CH3CO+)~44. The high abundance of the protonated form of H2CCO is due to the high proton affinity of the neutral species. The other isomer, H2CCOH+, is found to be 178.9 kJ mol-1 above CH3CO+. The observed intensity ratio between the K=0 and K=1 lines, ~2.2, strongly suggests that the A and E symmetry states have suffered interconversion processes due to collisions with H and/or H2, or during their formation through the reaction of H 3 + with H2CCO.

Entities:  

Keywords:  Astrochemistry; ISM: individual (TMC-1); ISM: molecules; line: identification; molecular data

Year:  2021        PMID: 33828331      PMCID: PMC7610537          DOI: 10.1051/0004-6361/202040076

Source DB:  PubMed          Journal:  Astron Astrophys        ISSN: 0004-6361            Impact factor:   5.802


  6 in total

1.  A new interstellar molecule: tricarbon monoxide.

Authors:  H E Matthews; W M Irvine; P Friberg; R D Brown; P D Godfrey
Journal:  Nature       Date:  1984-07-12       Impact factor: 49.962

2.  A simple and efficient CCSD(T)-F12 approximation.

Authors:  Thomas B Adler; Gerald Knizia; Hans-Joachim Werner
Journal:  J Chem Phys       Date:  2007-12-14       Impact factor: 3.488

3.  Simplified CCSD(T)-F12 methods: theory and benchmarks.

Authors:  Gerald Knizia; Thomas B Adler; Hans-Joachim Werner
Journal:  J Chem Phys       Date:  2009-02-07       Impact factor: 3.488

4.  Infrared spectroscopy of the acetyl cation and its protonated ketene isomer.

Authors:  J D Mosley; J W Young; M A Duncan
Journal:  J Chem Phys       Date:  2014-07-14       Impact factor: 3.488

5.  Two Isomers of Protonated Isocyanic Acid: Evidence for an Ion-Molecule Pathway for HNCO ↔ HOCN Isomerization.

Authors:  Valerio Lattanzi; Sven Thorwirth; Carl A Gottlieb; Michael C McCarthy
Journal:  J Phys Chem Lett       Date:  2012-11-09       Impact factor: 6.475

6.  Astrochemical evolution along star formation: Overview of the IRAM Large Program ASAI.

Authors:  Bertrand Lefloch; R Bachiller; C Ceccarelli; J Cernicharo; C Codella; A Fuente; C Kahane; A López-Sepulcre; M Tafalla; C Vastel; E Caux; M González-García; E Bianchi; A Gómez-Ruiz; J Holdship; E Mendoza; J Ospina-Zamudio; L Podio; D Quénard; E Roueff; N Sakai; S Viti; S Yamamoto; K Yoshida; C Favre; T Monfredini; H M Quitián-Lara; N Marcelino; H M Boechat-Roberty; S Cabrit
Journal:  Mon Not R Astron Soc       Date:  2018-04-14       Impact factor: 5.287

  6 in total
  1 in total

1.  Laboratory microwave spectroscopy of the doubly deuterated cyanomethyl radical, D2CCN.

Authors:  Carlos Cabezas; Yasuki Endo; José Cernicharo
Journal:  J Mol Spectrosc       Date:  2021-03-12       Impact factor: 1.507

  1 in total

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