For the past ten years, UW-Washington County Chemistry Professor, Dr. Mohamed Ayoub has advised students with their undergraduate research projects. On Wednesday, May 10, Dr. Ayoub along with UW-WC Chemistry student, Christopher Peterson will present, “A Decade of Chemistry Undergraduate Student Research at UW-WC” at the monthly Scholar Sip forum. The free discussion takes place at 3:30pm in the campus library and is open to the public.
Thanks to Dr. Ayoub’s mentoring, UW-WC students enrolled in independent study classes, have had the opportunity to present their research at a variety of state-wide symposia and conferences. These include Research in the Rotunda, the UW-S Symposium for Undergraduate Research and Creative Activity and the Wisconsin Science and Technology Symposium.
Peterson’s research is titled, “Natural Bond Orbital Study for Like-Charge Hydrogen Bonded Dimers.” The pair will also travel to UW-Stevens Point this Friday, April 21 to present Peterson’s research at the 16th Annual UW System Symposium for Undergraduate Research and Creative Activity.
During the academic year 2016-2017, Peterson enrolled in the Independent Study in Chemistry (CHE 299) class. He has been working on this undergraduate research project for two semesters under Dr. Ayoub’s supervision.
The objective of this ab initio study was to answer the fundamental question surrounding the physical basis of hydrogen bonding, using density functional theory (DFT) with augmented triple zeta (aug-cc-pVTZ calculations performed with the Gaussian 09 program and analyzed with the NBO 6.0 program. Representative hydrogen bonded complexes of both anion-anion and cation-cation types were selected. The result confirms the formation of hydrogen bond with all its unique structural and spectroscopic features such as elongation of HA (DHA), hydrogen bond distance (RB…H), red-shifted for HA (DnHA), regardless of opposition of coulomb forces due to like charges. Data obtained support that characteristic covalency of H-bonding can be readily explained by considering the distinctive donor-acceptor interactions (nB→ sHA*) that appear common to all known hydrogen bonding species.