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@ARTICLE{Arenas:457273,
      author       = {Arenas, Benjamin and Batra, Gayatri and Steber, Amanda and
                      Bizzocchi, Luca and Pietropolli Charmet, Andrea and
                      Giuliano, Barbara M. and Caselli, Paola and Harris, Brent J.
                      and Pate, Brooks H. and Guillemin, Jean-Claude and Schnell,
                      Melanie},
      title        = {{R}otational spectroscopy of imidazole: {A}ccurate
                      spectroscopic information for three vibrationally excited
                      states and the heavy-atom isotopologues up to 295 {GH}z},
      journal      = {Journal of molecular spectroscopy},
      volume       = {378},
      issn         = {0022-2852},
      address      = {Orlando, Fla.},
      publisher    = {Academic Press},
      reportid     = {PUBDB-2021-01951},
      pages        = {111452},
      year         = {2021},
      note         = {Two versions attached. 1. The version accpeted by the
                      journal (original accepted form; without journal
                      formatting).2. The final published version from the
                      journal.},
      abstract     = {We report our analysis of the pure rotational spectra of
                      low-lying vibrationally excited states and heavy-atom rare
                      isotopologues of imidazole. To facilitate searches for
                      imidazole in the interstellar medium, we previously
                      described the analysis of the rotational spectrum of the
                      imidazole main isotopologue across the 2–295 GHz range,
                      and we extend this analysis here. Structure optimisation and
                      anharmonic frequency calculations were performed to aid the
                      spectral analysis. Three vibrationally excited states of
                      imidazole were assigned in our room-temperature spectra,
                      with energies up to approximately 670 cm$^{−1}$ above the
                      vibronic ground state. The vibrational states could act as
                      temperature probes in warmer star-forming regions. The
                      $^{13}$C and $^{15}$N heavy-atom isotopologues were
                      assigned, which allowed for the structure of imidazole in
                      the gas phase to be determined. Structural comparisons are
                      drawn between the related heterocyclic molecules hydantoin
                      and imidazolidine. An experimental gas-phase structure of
                      the former is also determined in this work. The potential
                      detection of the isotopologues could help deduce formation
                      pathways towards imidazole and other nitrogen-containing
                      cyclic compounds in interstellar space.},
      cin          = {FS-SMP},
      ddc          = {530},
      cid          = {I:(DE-H253)FS-SMP-20171124},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / ASTROROT - Unraveling interstellar chemistry
                      with broadband microwave spectroscopy and next-generation
                      telescope arrays (638027)},
      pid          = {G:(DE-HGF)POF4-631 / G:(EU-Grant)638027},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000660002400007},
      doi          = {10.1016/j.jms.2021.111452},
      url          = {https://bib-pubdb1.desy.de/record/457273},
}