Fundamental Radical Chemistry

Overview

Fundamental Radical Chemistry underpins all other themes within the Centre by providing:

• new experimental and theoretical methodology for studying radicals,
• new radical-based synthetic tools, and
• improved understanding of fundamental aspects of radical stability and reactivity.

It is through a deeper understanding of fundamental radical processes that innovative new solutions and technologies arise.

Research projects

Researchers working within the Fundamental Radical Chemistry theme aim to provide the methodological and synthetic tools for the Centre's applied scientists to use in pharmaceutical or materials production, or to understand radical reactions that take place in a living organism or materials. Activities in this area range from the development of cutting edge experimental methods to the use of high-level computational techniques.

Examples of the current research being conducted under this theme are:

• Benchmarking of computational procedures for the study of radical thermochemistry;
• Development and testing of an accurate methodology to calculate one-electron oxidation and reduction potentials;
• Development of more efficient computational algorithms for finding the minimum energy conformation of a molecule;
• Development of new mass spectrometry processes that utilize radical chemistry to study biomolecules;
• Development of experimental and computational methods for measuring absolute kinetic data for reactions at selenium;
• Development of new tin-free chain carriers for use in synthesis;
• Application of tandem hemolytic addition/ substitution chemistry to the synthesis of new molecules of interest to the Centre;
• Development of new methodology for the synthesis of bioactive opiates;
• Examination of radical based mechanisms for the oxidation of alcohols;
• Exploration of orbital interactions;
• Examination of alkali metal and alkaline earth metal oxides and hydroxides with emphasis on their interesting acid/ base properties;
• Examination of the mechanism of atom transfer radical polymerization to use in catalyst design and selection.