Assistant Professor
Theoretical Chemistry
office: Gottwald Center for the Sciences, C-206
phone: 804-484-1628
email: kdonald@richmond.edu
homepage: http://facultystaff.richmond.edu/~kdonald
Education:
Postdoctoral Research: Cornell University; Darmstadt Technical University
Ph.D.: University of the West Indies (Mona)
Classes Taught: (Spring 2008)
CHEM310-01 – Physical Chemistry II
CHEM310-L01/L02 – Physical Chemistry II Lab
Classes Taught: (Fall 2008)
CHEM309-01/02 – Physical Chemistry I
Research Interests:
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.
Specifically, we are interested in:
- 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, and
- analysing bonding patterns in Si and Ge analogues of carbon compounds.
Selected Publications:
- K. J. Donald, W. H. Mulder and L. v. Szentpály “Valence-State Atoms in Molecules 7: Influence of Polarization and Bond-Charge on Spectroscopic Constants of Diatomic Molecules.” J. Phys. Chem. A 2004, 108(4), 595-606.
- K. J. Donald, M. C. Böhm and H. J. Lindner “Analysis of competing bonding parameters. Part 2. The structure of halosilanes and halogermanes (MH4−nXn, n=1–4; M=Si, Ge; X=F, Cl, Br).” J. Mol. Struct. THEOCHEM 2005 713(1-3) 215-226.
- K. J. Donald “Electronic Compressibility and Polarizability: Origins of a Correlation.” J. Phys. Chem. A 2006, 110(6), 2283-2289.
- K. J. Donald and R. Hoffmann “Solid Memory: Structural Preferences in Group 2 Dihalide Monomers, Dimers, and Solids.” J. Am. Chem. Soc. 2006, 128(34), 11236-11249.