Laboratory rotational spectroscopy of isotopic acetone, CH${}_3^{13}$C(O)CH${}_3$ and ${}^{13}$CH${}_3$C(O)CH${}_3$, and astronomical search in Sagittarius B2(N2)

Abstract

We want to study the rotational spectra of CH${}_3^{13}$C(O)CH${}_3$ and ${}^{13}$CH${}_3$C(O)CH${}_3$ and search for them in Sagittarius B2(N2). We investigated the laboratory rotational spectrum of isotopically enriched CH${}_3^{13}$C(O)CH${}_3$ between 40 GHz and 910 GHz and of acetone between 36 GHz and 910 GHz in order to study ${}^{13}$CH${}_3$C(O)CH${}_3$ in natural isotopic composition. In addition, we searched for emission lines produced by these species in a molecular line survey of Sagittarius B2(N) carried out with ALMA. Discrepancies between predictions of the main isotopic species and the ALMA spectrum prompted us to revisit the rotational spectrum of this isotopolog. We assigned 9711 new transitions of CH${}_3^{13}$C(O)CH${}_3$ and 63 new transitions of ${}^{13}$CH${}_3$C(O)CH${}_3$ in the laboratory spectra. More than 1000 additional lines were assigned for the main isotopic species. We modeled the ground state data of all three isotopologs satisfactorily with the ERHAM program. We find that models of the torsionally excited states $v_{12}=1$ and $v_{17}=1$ of CH${}_3$C(O)CH${}_3$ improve only marginally. No transition of CH${}_3^{13}$C(O)CH${}_3$ is clearly detected toward the hot molecular core Sgr B2(N2). However, we report a tentative detection of ${}^{13}$CH${}_3$C(O)CH${}_3$ with a ${}^{12}$C/${}^{13}$C isotopic ratio of 27 that is consistent with the ratio previously measured for alcohols in this source. Several dozens of transitions of both torsional states of the main isotopolog are detected as well. Our predictions of CH${}_3^{13}$C(O)CH${}_3$ and CH${}_3$C(O)CH${}_3$ are reliable into the terahertz region. The spectrum of ${}^{13}$CH${}_3$C(O)CH${}_3$ should be revisited in the laboratory with an enriched sample. Transitions pertaining to the torsionally excited states $v_{12}=1$ and $v_{17}=1$ of CH${}_3$C(O)CH${}_3$ could be identified unambiguously in Sagittarius B2(N2).

arXiv commentA&A in press; Abstract abbreviated; 37 pages: 12 pages + 25 pages Appendix

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• A deep search for large complex organic species toward IRAS16293-2422 B at 3 mm with ALMA
• Reexploring Molecular Complexity with ALMA: Insights into chemical differentiation from the molecular composition of hot cores in Sgr B2(N2)
• Millimeter-millimeter-wave double-modulation double-resonance spectroscopy
• Searching for Propionamide (C2H5CONH2) Toward Sagittarius B2 at Centimeter Wavelengths
• Rotational spectroscopy of singly ${}^{13}$C substituted isotopomers of propyne and determination of a semi-empirical equilibrium structure
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