Full Spectroscopic Model and Trihybrid Experimental-Perturbative-Variational Line List for CN
| Autor: | Laura K. McKemmish, Anna-Maree Syme |
|---|---|
| Jazyk: | angličtina |
| Rok vydání: | 2021 |
| Předmět: |
Chemical Physics (physics.chem-ph)
Earth and Planetary Astrophysics (astro-ph.EP) Physics 010504 meteorology & atmospheric sciences FOS: Physical sciences Astronomy and Astrophysics Mass ratio 01 natural sciences Article Electronic states Computational physics Line list Astrophysics - Solar and Stellar Astrophysics Space and Planetary Science Physics - Chemical Physics 0103 physical sciences Molecule Isotopologue Sensitivity (control systems) 010303 astronomy & astrophysics Solar and Stellar Astrophysics (astro-ph.SR) Energy (signal processing) 0105 earth and related environmental sciences Astrophysics - Earth and Planetary Astrophysics |
| Zdroj: | Mon Not R Astron Soc |
| Popis: | 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 (6,864 experimental, 1,574 perturbative, the rest variational) and 2,285,103 transitions up to 60,000 cm-1 between the three lowest electronic states (X2Sigma+, A2Pi and B2Sigma+). 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. Accepted in Monthly Notices of the Royal Astronomical Society. 13 pages, 11 figures |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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