Abstract
Fluoromethane-d 3 has been studied using advanced NMR spectra in the gas phase at 300 K. For the first time the 13C and 19F magnetic shielding and spin–spin coupling of CD 3F were measured as functions of density. After extrapolation to the zero-density limit the relevant parameters of an isolated CD 3F molecule were obtained. NMR measurements were extended on the 19F shielding of CHD 2F and CH 3F molecules in order to determine deuterium isotope effects in 19F shielding of studied molecules. It has been shown that the new NMR parameters are suitable for comparison with the results of recent ab initio calculations.
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