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

November 2017

Molecular orbital of the month, is actually a "density difference" surface. In an ionic liquid, when a chloride anion associates with an imidazolium cation [C4C1im] they form a special type of hydrogen-bond called a doubly ionic hydrogen bond. This surface shows, after forming the bond, areas in red where electron density accumulates and areas in yellow where electron density is reduced. We can see the electron density is increasing in the hydrogen-bond region but electron density is also polarised away from the area of the newly formed bond.
bmimbcl H-bond formation animation

Latest News Research highlights!
Masters Success!

MRes students Mikkalia, Nukorn and Lennart have had their exams, submitted their thesis, presented their work at the MRes symposium and successfully completed their courses. Congratulations! Mikkalia has achieved distinction and won the MRes top dissertation prize! Nukorn has won 2nd prize in the MRes in Green Chemistry presentations and Lennart is pursuing a PhD!

Young Researchers Conference

Recently we hosted an Early Career Researcher Meeting as part of the Molten Salts Discussion Group. PhD and Post-Doc's interested in all things molten salts and ionic-liquids attended, we had 38 delegates from 13 institutions and visitors from as far away as Australia.