Dr. Fuhrer Publishes Manuscript in the Journal of Physical Chemistry A

Dr. Tim Fuhrer recently published his work entitled “Theoretical Explanation of Reaction Site Selectivity in the Addition of a Phenoxy Group to Perfluoropyridine” in the Journal of Physical Chemistry A. In this paper, Dr. Fuhrer examined via computational calculations how pentafluoropyridine undergoes para substitution relative to the nitrogen. To accomplish this, density functional theory (DFT) calculations were performed to investigate electron and molecular intermediate structures to determine the impact of electronic effects on substitution reactions. This work was completed during the summer when Dr. Fuhrer was working at the United States Air Force Research Laboratories.