This grant from the Organic Dynamics Program supports the work of Professor Steven Bachrach at Northern Illinois University. Professor Bachrach will use molecular orbital calculations and a topological electron density analysis in order to examine organic reaction mechanisms. A series of electrocyclic reactions involving phosphaalkenes and phosphaalkynes and nucleophilic substitution reactions at heteroatoms will be examined. These studies will test the concept of the transferability of mechanism type from element to element and will offer assistance in the modification of reactants to facilitate these reactions. %%% Calculations will be utilized to determine the energy content and the electron distribution of the highest energy point between the starting material and product in reactions involving organic compounds containing phosphorus, oxygen, nitrogen, or sulfur. The reactions chosen for study represent an important class of reactions and will assist the developing synthetic work in this area.
