University of Nebraska-Lincoln
517 Hamilton Hall
Lincoln, NE 68588-0304
Teaching and Research Interests
The focus of my research is the geometry of organic molecules and the relation of this geometry of organic reactions. Work has proceeded to correlate molecular mechanics calculations (which provide the geometry and energy of single geometries) with NMR measurements, which provide data averaged over all geometries.NMR coupling constants and chemical shifts may now be calculated accurately. In addition, using molecular mechanics data, I have devised a calculation technique for establishing the relation of sign of optical rotation with (R) or (S) configuration in mobile molecules.
I have also devised an automated system for interpretation of kinetics for reactions that generate pressure. This has led to a reinvestigation of malonic acid decarboxylations. This investigation, which includes an array of abinitio calculations, suggests that a reevaluation of the textbook mechanism is in order.
Finally, I also have an interest in the formulation of polymeric catalysts that combine functional groups in the proper juxtaposition to facilitate specific chemical reactions.
(1) Stability of warfarin solutions for drug-protein binding measurements: Spectroscopic and chromatographic studies
Moser, Annette C.; Kingsbury, Charles; Hage, David S. Department of Chemistry, University of Nebraska, Lincoln, NE, USA. Journal of Pharmaceutical and Biomedical Analysis (2006), 41(4), 1101-1109.
(2) IR and computational studies of alkyl chloride conformations
C. A. Kingsbury, K.-H. Lee, Journal of Physical Organic Chemistry 2000, 13, 244-252.