About the Seminar:

Title:

The Bonding Origins of π-stacking: A Multi-technique Approach

Abstract:

π-stacking interactions generally adopt parallel-displaced and/or twisted orientations. To explain this phenomenon, our group has developed a stack bonding perspective which considers the interactions in terms of contributions of monomer p-orbital overlap to the character of dimer orbitals. Energetically favored conformations are consistent with patterns of mixing of the monomer molecular orbitals that maximize interpenetration of the p densities. Additional evidence is presented through a multi-technique approach on simple organic semiconductor materials using solid-state NMR and X-ray crystallography.

About the Speaker:

Education:

Ph.D. in Chemistry (Physical Chemistry), Texas A&M University, (1998)

B.S. in Chemistry, Roanoke College, (1994)

Research:

Dr. Bayse’s research projects use computational chemistry to examine the interplay of trace elements such as selenium, zinc, iodine and arsenic as they prevent or promote healthy function in connection to cardiovascular disease, cancer, and thyroid function.
Through an atom-level theoretical approach, his research group has proposed new mechanisms for biological activity that have later been proven experimentally and may lead to new treatments for chronic illness.