Professor Farrar is supported by a grant from the Experimental Physical Chemistry Program for nuclear magnetic resonance (NMR) relaxation studies to determine bond distances, chemical shift tensors, and quadrupole coupling tensors of molecules in solution. The molecular structure and dynamics of molecular systems with three-fold axis symmetry or higher will be studied as a function of pH, solvent, concentration, and temperature. These experimental results will be compared with ab initio calculations of chemical shift tensors and electric field gradient tensors at the nuclei. X-ray and neutron diffraction experiments as well as solid state NMR experiments will complement the solution studies. %%% Nuclear magnetic resonance studies of molecules in solution will allow the determination of properties such as bond lengths, and the tensor quantities which are related to the electron distribution in the immediate vicinity of the nucleus. The comparison of these properties with solid state and theoretical calculations will provide a measure of the effects of intermolecular interactions on these properties in solution.

Agency
National Science Foundation (NSF)
Institute
Division of Chemistry (CHE)
Application #
9102674
Program Officer
Francis J. Wodarczyk
Project Start
Project End
Budget Start
1991-06-01
Budget End
1995-05-31
Support Year
Fiscal Year
1991
Total Cost
$317,163
Indirect Cost
Name
University of Wisconsin Madison
Department
Type
DUNS #
City
Madison
State
WI
Country
United States
Zip Code
53715