guest ::
| Home > Publications database > Rotational spectroscopy of 2,4,6-cycloheptatriene-1-carbonitrile: Facilitating the search for complex cyclic molecules in the ISM |
| Home > Publications database > Rotational spectroscopy of 2,4,6-cycloheptatriene-1-carbonitrile: Facilitating the search for complex cyclic molecules in the ISM |
| Journal Article | PUBDB-2024-01635 |
; ; ;
2024
RSC Publ.
Cambridge
This record in other databases: 
Please use a persistent id in citations: doi:10.1039/D4CP01899K doi:10.3204/PUBDB-2024-01635
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.
; 
; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; Essential Science Indicators ; IF < 5 ; JCR ; National-Konsortium ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection
|
The record appears in these collections: |
PDF
PDF (PDFA)