Dr. Kelling J. Donald
Assistant Professor of Chemistry
C-206 Gottwald Science Center What interactions determine the shapes of molecules? Why is one unexpected isomer more stable relative to more ‘logical’ and aesthetically pleasing alternatives? These questions remain interesting, as new molecules are made and assumptions about limitations in chemical bonding are challenged. We ask yet another question. What connections can we identify between structural (isomeric) preferences in molecules and their extended solids? In the Donald lab, our aim is to provide a way in to some of these intriguing fundamental questions. The efficient design of new molecules and materials with desirable properties rely on answers to such basic questions. We employ a range of theoretical approaches: applying chemical intuition and simple mathematical principles (in pen-and-paper calculations), or reliable computational methods (as available in various ab initio, DFT and other software packages) to tackle problems of interest in structural chemistry across the periodic table.
Office: (804) 484-1628
Speciality:
Theoretical Chemistry
Teaching:
Introductory Chemistry: Structure, Dynamics, & Synthesis
Physical Chemistry I: Chemical Thermodynamics and Kinetics
Physical Chemistry II: Quantum Mechanics and Spectroscopy
Research:
Understanding structure preferences in metal halide and hydride monomers, oligomers, and extended-solids
Developing improved semi-empirical descriptions of the chemical bond
Exploring the usefulness and limitations of electrostatic bonding models in explaining, e.g., anomalous (or non-VSEPR) structural preference in molecule
Analysing bonding patterns in Si and Ge analogues of carbon compounds.
Education:
Ph.D., University of the West Indies (Mona)
Postdoctoral Research: Cornell University; Darmstadt Technical University
Selected Publications:
*University of Richmond undergraduate
Radical Bonding: Structure and Stability of Bis(Phenalenyl) Complexes of Divalent Metals from across the Periodic Table.
Smaranda Craciun*, Kelling J. Donald Inorganic Chemistry, 2009, 48(13), 5810-5819.
Influence of Endohedral Confinement on the Electronic Interaction between He atoms: A He2@C20H20 Case Study.
Erick Cerpa, Andreas Krapp, Roberto Flores-Moreno, Kelling J. Donald, Gabriel Merino Chemistry – A European Journal: 2009, 15(8), 1985 – 1990.
Group 12 Dihalides: Structural Predilections from Gases to Solids.
K.J. Donald, M. Hargittai, R. Hoffmann Chemistry – A European Journal: 2009, 15(1), 158-177.
Pentadienyl Complexes of Alkali Metals: Structure and Bonding
E. Cerpa, F. J. Tenorio, M. Contreras, M. Villanueva, H. I. Beltrán, T. Heine, K. J. Donald, and G. Merino Organometallics 2008, 27 (5), 827–833.
The Many Ways To Have a Quintuple Bond.
G. Merino, K. J. Donald, J. D’Acchioli, R. Hoffmann. J. Am. Chem. Soc. 2007, 129(49), 15295-15302.
K. J. Donald “Electronic Compressibility and Polarizability: Origins of a Correlation.” J. Phys. Chem. A 2006, 110(6), 2283-2289.
