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 2017

Molecular orbital of the month, this MO is for a transition metal dye complex, we use it to study the interaction strength of different solvents and ionic liquids [(Cu(acac)(tmen)]+. The "colour" (wavenumber) of the dye changes as the solvent, solvates and interacts more with the dye.
aa_movie_cu_acc_tmen
Latest News Research highlights!
Public Engagement

Mikkalia presented at "Chemistry Stories" May 30th at the RSC. "This storytelling event will explore how the human side of chemistry can be hilarious, heart-breaking, delightful and shocking through true stories told by both scientists and non-scientists." Here she is presenting! utube video

mikkalia_talk_RSC_web
Women in Science

Tricia organised and Aiswarya and Sophie attended an informal and female focused Career discussion for PhDs and PostDocs with Laura Gagliardi, Distinguished McKnight Professor at the Chemical Theory Center of the University of Minnesota, USA.

informal_women_postdocs
Student Conference
The final year student conference on 6th June has been a great success Jin Cheng has won second prise for his talk in the "Synthesis, Materials & Applications" session. Saima and Shijia had wonderful posters to present!
shijia_poster_web ShijiaH-bonding in ionic liquids

saima_poster_webSaima Rotational barriers in phosphonium ionic liquids