Abstract
For the first time, the intermolecular hyperfine tensor at a 129Xe nucleus close to an O2 molecule has been calculated for various configurations. The quality of this quantum mechanical calculation has been tested against the experimentally measured density and temperature-dependent chemical shifts of 129Xe in the limit of zero mole fraction of Xe in O2 gas.
Acknowledgements
This research was supported by the National Science Foundation (Grant CHE–9979259). DNS thanks the Alberta Ingenuity Fund and the I. W. Killam Fund for post-doctoral fellowships.