Accurate Experimental Structure of 1-Chloronaphthalene

Chemphyschem. 2024 Mar 12:e202400072. doi: 10.1002/cphc.202400072. Online ahead of print.ABSTRACTThe 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.PMID:38470127 | DOI:10.1002/cphc.202400072

Source: Chemphyschem - March 12, 2024 Category: Chemistry Authors: Pablo Pinacho Pablo Gomez Juan Carlos Lopez Susana Blanco Source Type: research