Literature DB >> 31579315

Discovery of two new magnesium-bearing species in IRC+10216: MgC3N and MgC4H.

J Cernicharo1, C Cabezas1, J R Pardo1, M Agúndez1, C Bermúdez1, L Velilla-Prieto1,2, F Tercero3, J A López-Pérez3, J D Gallego3, J P Fonfría1, G Quintana-Lacaci1, M Guélin4, Y Endo5.   

Abstract

We report on the detection of two series of harmonically related doublets in IRC +10216. From the observed frequencies, the rotational constant of the first series is B = 1380.888 MHz and that of the second series is B = 1381.512 MHz. The two series correspond to two species with a 2Σ electronic ground state. After considering all possible candidates, and based on quantum chemical calculations, the first series is assigned to MgC3N and the second to MgC4H. For the latter species, optical spectroscopy measurements support its identification. Unlike diatomic metal-containing molecules, the line profiles of the two new molecules indicate that they are formed in the outer layers of the envelope, as occurs for MgNC and other polyatomic metal-cyanides. We also confirm the detection of MgCCH that was previously reported from the observation of two doublets. The relative abundance of MgC3N with respect to MgNC is close to one while that of MgC4H relative to MgCCH is about ten. The synthesis of these magnesium cyanides and acetylides in IRC +10216 can be explained in terms of a two-step process initiated by the radiative association of Mg+ with large cyanopolyynes and polyynes followed by the dissociative recombination of the ionic complexes.

Entities:  

Keywords:  astrochemistry; circumstellar matter; line: identification; molecular data; stars: carbon; stars: individual (IRC +10216)

Year:  2019        PMID: 31579315      PMCID: PMC6774763          DOI: 10.1051/0004-6361/201936372

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


  11 in total

1.  Correlation consistent basis sets for explicitly correlated wavefunctions: valence and core-valence basis sets for Li, Be, Na, and Mg.

Authors:  J Grant Hill; Kirk A Peterson
Journal:  Phys Chem Chem Phys       Date:  2010-07-05       Impact factor: 3.676

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.  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

5.  Laboratory detections of SiC2N and SiC3N by Fourier transform microwave spectroscopy.

Authors:  Hiroya Umeki; Masakazu Nakajima; Yasuki Endo
Journal:  J Chem Phys       Date:  2014-11-14       Impact factor: 3.488

6.  HCnN anions in the ISM: exploring their existence and new paths to anionic carbonitriles for n = 3, 5.

Authors:  Stanka V Jerosimić; Roland Wester; Franco A Gianturco
Journal:  Phys Chem Chem Phys       Date:  2019-05-21       Impact factor: 3.676

7.  Spectroscopic Survey of Electronic Transitions of C6H, (13)C6H, and C6D.

Authors:  Xavier Bacalla; Edcel J Salumbides; Harold Linnartz; Wim Ubachs; Dongfeng Zhao
Journal:  J Phys Chem A       Date:  2016-08-04       Impact factor: 2.781

8.  Electronic spectra of the MgC4H and MgC6H radicals.

Authors:  Egor Chasovskikh; Evan B Jochnowitz; John P Maier
Journal:  J Phys Chem A       Date:  2008-08-27       Impact factor: 2.781

9.  Alkaline and Alkaline-earth Cyanoacetylides: A Combined Theoretical and Rotational Spectroscopic Investigation.

Authors:  Carlos Cabezas; Carmen Barrientos; Antonio Largo; Jean-Claude Guillemin; José Cernicharo; José L Alonso
Journal:  J Chem Phys       Date:  2019-08-07       Impact factor: 3.488

10.  Generation and structural characterization of aluminum cyanoacetylide.

Authors:  Carlos Cabezas; Carmen Barrientos; Antonio Largo; Jean-Claude Guillemin; José Cernicharo; Isabel Peña; José L Alonso
Journal:  J Chem Phys       Date:  2014-09-14       Impact factor: 3.488

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  1 in total

1.  Why Are MgC3H Isomers Missing in the Interstellar Medium?

Authors:  Sunanda Panda; Devipriya Sivadasan; Nisha Job; Aland Sinjari; Krishnan Thirumoorthy; Anakuthil Anoop; Venkatesan S Thimmakondu
Journal:  J Phys Chem A       Date:  2022-06-29       Impact factor: 2.944

  1 in total

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