Literature DB >> 33239826

Tentative detection of HC5NH+ in TMC-1.

N Marcelino1, M Agúndez1, B Tercero2,3, C Cabezas1, C Bermúdez1, J D Gallego2, P de Vicente2, J Cernicharo1.   

Abstract

Using the Yebes 40m radio telescope, we report the detection of a series of seven lines harmonically related with a rotational constant B 0=1295.81581 ± 0.00026 MHz and a distortion constant D 0 = 27.3 ± 0.5 Hz towards the cold dense cloud TMC-1. Ab initio calculations indicate that the best possible candidates are the cations n class="Chemical">HC5NH+ and NC4NH+. From a comparison between calculated and observed rotational constants and other arguments based on proton affinities and dipole moments, we conclude that the best candidate for a carrier of the observed lines is the protonated cyanodiacetylene cation, HC5NH+. The HC5N/HC5NH+ ratio derived in TMC-1 is 240, which is very similar to the HC3N/HC3NH+ ratio. Results are discussed in the framework of a chemical model for protonated molecules in cold dense clouds.

Entities:  

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

Year:  2020        PMID: 33239826      PMCID: PMC7116411          DOI: 10.1051/0004-6361/202039251

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


  7 in total

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Authors:  Thomas B Adler; Gerald Knizia; Hans-Joachim Werner
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3.  Simplified CCSD(T)-F12 methods: theory and benchmarks.

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4.  Chemistry of dark clouds: databases, networks, and models.

Authors:  Marcelino Agúndez; Valentine Wakelam
Journal:  Chem Rev       Date:  2013-10-07       Impact factor: 60.622

5.  Correlation consistent basis sets for molecular core-valence effects with explicitly correlated wave functions: the atoms B-Ne and Al-Ar.

Authors:  J Grant Hill; Shivnath Mazumder; Kirk A Peterson
Journal:  J Chem Phys       Date:  2010-02-07       Impact factor: 3.488

6.  New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community.

Authors:  Benjamin P Pritchard; Doaa Altarawy; Brett Didier; Tara D Gibson; Theresa L Windus
Journal:  J Chem Inf Model       Date:  2019-10-24       Impact factor: 4.956

7.  Rotational spectra of the carbon-chain radicals HC5O, HC6O, and HC7O.

Authors:  S Mohamed; M C McCarthy; A L Cooksy; C Hinton; P Thaddeus
Journal:  J Chem Phys       Date:  2005-12-15       Impact factor: 3.488

  7 in total
  2 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

2.  On the formation of 2- and 3-cyanofurans and their protonated forms in interstellar medium conditions: quantum chemical evidence.

Authors:  René Simbizi; Désiré Nduwimana; Joël Niyoncuti; Prosper Cishahayo; Godefroid Gahungu
Journal:  RSC Adv       Date:  2022-09-06       Impact factor: 4.036

  2 in total

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