The reaction field contribution to the proton magnetic shielding of acetonitrile in some non-polar solvents

Publisher Website
Google Scholar
Abstract
The gas-to-infinite dilution proton chemical shifts of acetonitrile in a series of non-polar, isotropic solvents have been measured. After allowance for the bulk susceptibility and van der Waals contributions, it is possible to to explain the observed shifts by the well-known reaction field theory. The existing level of experimental error in chemical shift measurement is sufficiently large that no justification exists in preferring the form of the theory based on an ellipsoidal cavity to that based on a spherical cavity. Some further observed results are given which demonstrate the existence of specific interactions between acetonitrile and each of several non-polar solvents including carbon tetrachloride.