Hunt Research Group

The Hunt Research Group is a theoretical and computational chemistry group which carries out theoretical development and computational modeling.

Our research is focused towards understanding the chemistry and physics associated with solvents and solvation, particularly as this applies to ionic-liquids and aqueous solutions.

We study the making and breaking of molecules. This includes catalytic mechanisms (for group II and frustriated lewis acid-base pairs) and chemical decomposition (bio-fuels and ionic-liquids).

Overarching all of these areas is a specialisation in hydrogen-bonding, acid-base interactions and an expertise in the MO theory of bonding. We have developed the Effective MO Method for interrogating the electronic structure of liquids.


Dr. Hunt's picture

June 2016

Molecular orbital of the month, the HOMO of trigonal bipyramidal [BiCl5]2- a stable species present in one of the "heaviest" ionic liquids known: [C4C1im][BiCl4].

BiCl5_bipyramidal_HOMO

Latest News Good news for Jan he has won best oral presentation in the MSci Symposium on Synthesis, Materials & Applications, Congratulations!

Good news from the RSC Tricia is one of the top 10% of highly cited authors within the RSC's portfilo of Physical journals (since 2013)

Highly Cited

Claire and Tricia's paper "Doubly Ionic Hydrogen Bond Interactions Within the Choline Chloride - Urea Deep Eutectic Solvent" ASAP. Congratulations!

DES_HBonding_soup
New Publications
Julie, Olga and Tricia's paper "Solubility of Alkali Metal Halides in the Ionic Liquid [C4C1im][OTf]" is published. Congratulations!
salts_paper_structures