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@ARTICLE{Batra:606801,
      author       = {Batra, Gayatri and Pille, Laura and Arenas, Benjamin and
                      Schnell, Melanie},
      title        = {{R}otational spectroscopy of
                      2,4,6-cycloheptatriene-1-carbonitrile: {F}acilitating the
                      search for complex cyclic molecules in the {ISM}},
      journal      = {Physical chemistry, chemical physics},
      volume       = {26},
      number       = {31},
      issn         = {1463-9076},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {PUBDB-2024-01635},
      pages        = {20828-20836},
      year         = {2024},
      abstract     = {The recent astronomical observations of the simplest
                      aromatic nitrile benzonitrile, C$_6$H$_5$CN, followed by a
                      five-membered and a bicyclic CN-functionalized ring in TMC-1
                      have provided a significant impetus to the field for
                      searches of cyclic complex organic molecules in space. One
                      such example is 2,4,6-cycloheptatriene-1-carbonitrile, a
                      seven-membered ring with a -CN group attached to the sp$^3$
                      hybridized carbon atom. With a permanent electric dipole
                      moment of 4.3 D, this molecule is an excellent candidate for
                      laboratory rotational spectroscopy. In this study,
                      experiments were performed in the 2-8 GHz, 18-26 GHz and
                      75-110 GHz frequency ranges in a supersonic expansion setup
                      and a room temperature flow cell setup. The measurements
                      across the broad frequency range of 2-110 GHz have enabled
                      the identification and assignment of the vibronic ground
                      state, singly substituted rare-atom isotopologues, and
                      vibrationally excited states. Here, we report the precise
                      determination of the rotational constants, quartic
                      centrifugal distortion constants, nitrogen nuclear
                      quadrupole coupling constants, as well as molecular
                      structure in its vibronic ground state. The comprehensive
                      rotational spectroscopy study of this molecule, covering a
                      large frequency range, forms the basis for its future
                      astronomical detection and thus for extending the pool of
                      detected complex cyclic molecules.},
      cin          = {FS-SMP / FS-BIG},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-SMP-20171124 / I:(DE-H253)FS-BIG-20220318},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631)},
      pid          = {G:(DE-HGF)POF4-631},
      experiment   = {EXP:(DE-MLZ)NOSPEC-20140101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {39044554},
      UT           = {WOS:001274856900001},
      doi          = {10.1039/D4CP01899K},
      url          = {https://bib-pubdb1.desy.de/record/606801},
}