Organic Ion-Molecule Chemistry

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The relationship between structure, reactivity, and energetics of gas phase organic ion-molecule reactions will be investigated. A variable temperature flowing afterglow apparatus, along with ab initio molecular orbital calculations, will be used to carry out these studies. The resulting information will provide mechanistic insights which are unavailable from condensed phase work. Species to be investigated include vinyl, cyclopropyl, and alkyl anions. As well, unimolecular rearrangements and substituent effects will be studied. These investigations will provide critical information on a number of important areas including hydrogen bonding, nucleophilic substitution, eliminations, orbital symmetry controlled reactions, and the relationship between structure, reactivity, and energetics. %%% Many important reactions occur are in the gas phase, including most of the reactions involved in atmospheric chemistry. This project will therefore not only contribute to an understanding of the fundamental principles which control a variety of chemical transformations, but will also provide a paridigm for understanding processes which occur in the atmosphere. In this grant from the Organic Dynamics Program to Professor S. Kass at the University of Minnesota, particular attention will be paid to investigation of reactions and rearrangements in the gas phase which involve negatively charged organic species called anions.