Winslow Professor of Chemistry George Shields published an article in the Journal of Physical Chemistry A. The article, "Comparison of Model Chemistry and Density Functional Theory Thermochemical Predictions with Experiment for Formation of Ionic Clusters of the Ammonium Cation Complexed with Water and Ammonia; Atmospheric Implications," was co-authored with Frank Pickard '05 and Meghan Dunn '06.
The work, which was funded by ACS/PRF, Research Corporation and the National Science Foundation, was completed during the summer of 2004 and the 2004-05 academic year. The high-level quantum chemistry calculations predict that the thermodynamics for the formation of ion-water clusters is so favorable that virtually every ion in the lower troposphere will be hydrated with multiple water molecules.
This work lends support to the idea that ions in the atmosphere are effective nucleation sites for the condensation of water and other molecules, an essential step in the formation of aerosols and clouds.
Pickard plans to attend graduate school in computational chemistry either at the University of Georgia or Georgia Tech. Dunn, winner of a 2005-06 Goldwater Scholarship, plans a career in the field of environmental chemistry.
