Joe Scanlon, assistant professor of chemistry at Ripon College, published an article in Physical Chemistry Chemical Physics with his collaborator, Dr. Stefan Huber of the Technische Universität München in Germany.
Their article, “On the Directionality of Halogen Bonding,” investigated the origin of the high directionality of halogen bonding quantum chemically through a detailed comparison of typical adducts in two different orientations: “linear (most stable) and perpendicular. Energy decomposition analyses revealed that the synergy between charge-transfer interactions and Pauli repulsion are the driving forces for the directionality, while electrostatic contributions are more favorable in the less-stable, perpendicular orientation.”
Scanlon also presented a talk on, “Substituent Effects on Coordination Energies of Alkenes and Alkynes to Au and Pd Complexes,” at the American Chemistry Society National Meeting in Indianapolis on Sept. 10. A Ripon College student, Kylun Steggall ’14, was also a contributor to this talk.
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