Literature DB >> 34177351

Full spectroscopic model and trihybrid experimental-perturbative-variational line list for CN.

Anna-Maree Syme1, Laura K McKemmish1.   

Abstract

Accurate line lists are important for the description of the spectroscopic nature of small molecules. While a line list for CN (an important molecule for chemistry and astrophysics) exists, no underlying energy spectroscopic model has been published, which is required to consider the sensitivity of transitions to a variation of the proton-to-electron mass ratio. Here we have developed a Duo energy spectroscopic model as well as a novel hybrid style line list for CN and its isotopologues, combining energy levels that are derived experimentally (Marvel), using the traditional/perturbative approach (Mollist), and the variational approach (from a Duo spectroscopic model using standard ExoMol methodology). The final Trihybrid ExoMol-style line list for 12C14N consists of 28 004 energy levels (6864 experimental, 1574 perturbative, the rest variational) and 2285 103 transitions up to 60 000 cm-1 between the three lowest electronic states (X 2Σ+, A 2Π, and B 2Σ+). The spectroscopic model created is used to evaluate CN as a molecular probe to constrain the variation of the proton-to-electron mass ratio; no overly promising sensitive transitions for extragalactic study were identified.
© 2021 The Author(s) Published by Oxford University Press on behalf of Royal Astronomical Society.

Entities:  

Keywords:  astronomical data bases: miscellaneous; molecular data; techniques: spectroscopic

Year:  2021        PMID: 34177351      PMCID: PMC8220511          DOI: 10.1093/mnras/stab1551

Source DB:  PubMed          Journal:  Mon Not R Astron Soc        ISSN: 0035-8711            Impact factor:   5.235


  4 in total

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Authors: 
Journal:  J Mol Spectrosc       Date:  1999-04       Impact factor: 1.507

2.  The spectrum and spatial distribution of cyanogen in comet Hale-Bopp (C/1995 O1) at large heliocentric distance.

Authors:  R M Wagner; D G Schleicher
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3.  High Energy Radical Chemistry Formation of HCN-rich Atmospheres on early Earth.

Authors:  Martin Ferus; Petr Kubelík; Antonín Knížek; Adam Pastorek; John Sutherland; Svatopluk Civiš
Journal:  Sci Rep       Date:  2017-07-24       Impact factor: 4.379

  4 in total

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