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Computational insight into diatomic molecules as probes to measure the variation of the proton-to-electron mass ratio

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 نشر من قبل Anna-Maree Syme
 تاريخ النشر 2020
  مجال البحث فيزياء
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Astrophysical molecular spectroscopy is an important means of searching for new physics through probing the variation of the proton-to-electron mass ratio, $mu$. New molecular probes could provide tighter constraints on the variation of $mu$ and better direction for theories of new physics. Here we summarise our previous paper citep{19SyMoCu.CN} for astronomers, highlighting the importance of accurate estimates of peak molecular abundance and temperature as well as spectral resolution and sensitivity of telescopes in different regions of the electromagnetic spectrum. Whilst none of the 11 astrophysical diatomic molecules we investigated showed enhanced sensitive rovibronic transitions at observable intensities for astrophysical environments, we have gained a better understanding of the factors that contribute to high sensitivities. From our results, CN, CP, SiN and SiC have shown the most promise of all astrophysical diatomic molecules for further investigation, with further work currently being done on CN.



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Astrophysical molecular spectroscopy is an important method of searching for new physics through probing the variation of the proton-to-electron mass ratio, $mu$, with existing constraints limiting variation to a fractional change of less than 10$^{- 17}$/year. To improve on this constraint and therefore provide better guidance to theories of new physics, new molecular probes will be useful. These probes must have spectral transitions that are observable astrophysically and have different sensitivities to variation in the proton-to-electron mass ratio. Here, we concisely detail how astrophysical observations constrain the set of potential molecular probes and promising sensitive transitions based on how the frequency and intensity of these transitions align with available telescopes and observational constraints. Our detailed investigation focuses on rovibronic transitions in astrophysical diatomic molecules, using the spectroscopic models of 11 diatomics to identify sensitive transitions and probe how they generally arise in real complex molecules with many electronic states and fine structure. While none of the 11 diatomics investigated have sensitive transitions likely to be astrophysically observable, we have found that at high temperatures (1000 K) five of these diatomics have a significant number of low intensity sensitive transitions arising from an accidental near-degeneracy between vibrational levels in the ground and excited electronic state. This insight enables screening of all astrophysical diatomics as potential probes of proton-to-electron mass variation, with CN, CP, SiN and SiC being the most promising candidates for further investigation for sensitivity in rovibronic transitions.
Recently, methanol was identified as a sensitive target system to probe variations of the proton-to-electron mass ratio $mu$ [Jansen emph{et al.} Phys. Rev. Lett. textbf{106}, 100801 (2011)]. The high sensitivity of methanol originates from the inter play between overall rotation and hindered internal rotation of the molecule -- i.e. transitions that convert internal rotation energy into overall rotation energy, or vice versa, give rise to an enhancement of the sensitivity coefficient, $K_{mu}$. As internal rotation is a common phenomenon in polyatomic molecules, it is likely that other molecules display similar or even larger effects. In this paper we generalize the concepts that form the foundation of the high sensitivity in methanol and use this to construct an approximate model which allows to estimate the sensitivities of transitions in internal rotor molecules with $C_{3v}$ symmetry, without performing a full calculation of energy levels. We find that a reliable estimate of transition sensitivities can be obtained from the three rotational constants ($A$, $B$, and $C$) and three torsional constants ($F$, $V_3$ and $rho$). This model is verified by comparing obtained sensitivities for methanol, acetaldehyde, acetamide, methyl formate and acetic acid with a full analysis of the molecular Hamiltonian. From the molecules considered, methanol appears to be the most suitable candidate for laboratory and cosmological tests searching for a possible variation of $mu$.
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