Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
9770044 | Journal of Molecular Structure | 2005 | 5 Pages |
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. 300Â Torr) and the temperature of 298Â K while xenon and carbon dioxide were used as the gaseous solvents. Complex ABBâ²CCâ²DX 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
Karol Jackowski, Edyta MaciÄ
ga, Marcin Wilczek,