Article ID Journal Published Year Pages File Type
9770044 Journal of Molecular Structure 2005 5 Pages PDF
Abstract
13C NMR spectral parameters have been studied for benzene-13C in the gas phase. The solute compound was observed at low constant pressure (approx. 300 Torr) and the temperature of 298 K while xenon and carbon dioxide were used as the gaseous solvents. Complex ABB′CC′DX spectra were analyzed with the use of a PERCH program. It was found that the 13C chemical shift of benzene was linearly dependent on the solvent density. Similar dependence was also detected for the one-bond spin-spin coupling between proton and carbon nuclei, 1J(CH). For the first time the two NMR parameters for an isolated benzene molecule were obtained together with the coefficients responsible for the solute-solvent molecular interactions.
Related Topics
Physical Sciences and Engineering Chemistry Organic Chemistry
Authors
, , ,