Research

Chris Kingsbury's Research Profile

X-ray Crystallography

I have solved approximately 300 novel molecular crystal structures, and many of these structures have been published in peer-reviewed journals and databases. Crystal structres published include porous coordination polymers, crystalline semiconductors and novel medicinal compounds. Investigations of disordered molecules, interactions of porous materials with guests under pressure, and the structural dynamics of concerted atom movements have been performed.

I'm experienced with multiple non-standard diffraction techniques - with variable pressure and temperature, and through chemical change. I'm interested in the immense insight that can be gained through analysis of this data in a more rational way - the crystallographic identification of the solid state can yield so much important information, yet is often underutilised as an investigative technique, and relegated to a structure confirmation tool.



The crystal structure of [(CuII(Bipy))2-2,5-bis(methylthio)-3,6-dioxo-p-benzoquinone] (interactive)



A periodic table of NSD distortions
Computational analysis

Automation and technology are a fundamental part of how chemistry is changing and I'm adapting to the computational revolution by developing tools which can help researchers to interpret and visualise their data. The continued development of computational methods related to normal-coordinate structural decomposition (NSD), initally developed by John Shelnutt, allows for grouping of porphyrin macrocycles by class, based on molecular shape. Designing systems which adopt highly distorted shapes is essential to promoting interesting photophysical properties. My research has found that porphyrins are biased towards only a few distortion modes, and these are predictably accessed via simple substitution patterns. The NSD routine is able to be run on your own samples in .pdb format, at NSD Link

. I'm always looking for collaborators and feedback, so If you're using this tool, let me know!
Art and Science interplay

I'm developing a methodology for the interpretation of molecular symmetry as a visual device, to better communicate these ideas in an engaging way. Initially implemented as a method for porphyrin analysis, this plotting device is, I believe, able to provide information and inspire intrigue in how symmetry relates the disparate fields of Art, Science and Mathematics.




An exemplar "Mondrian"-style symmetry plot (publication forthcoming)