Pinacho Pablo, Gómez Pablo, López Juan Carlos, Blanco Susana
Department of Physical Chemistry and Inorganic Chemistry, IU-CINQUIMA University of Valladolid, Paseo Belen 7, Valladolid, 47011, Spain.
Department of Physical Chemistry, University of the Basque Country (UPV/EHU), B° Sarriena, S/N, Leioa, 48940, Spain.
Chemphyschem. 2024 Jun 3;25(11):e202400072. doi: 10.1002/cphc.202400072. Epub 2024 Apr 8.
The structure of isolated 1-chloronaphthalene has been investigated in a supersonic expansion by high-resolution chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy in the 2-8 GHz frequency range. Accurate values of the rotational, centrifugal distortion, and nuclear quadrupole coupling constants for the only availabe conformer have been determined. The intensity of the spectrum allowed us to observe all the heavy atoms isotopologues in natural abundance, determining their rotational constants. From the extensive experimental dataset we derived accurate structures for 1-chloronaphthalene using different methodologies and compared with related compounds.
