Discovery Early Career Researcher Award - Grant ID: DE140101330

Funded Activity Summary

Electron Density - Reactivity Correlation through Experimental Quantum Crystallography. X-ray wavefunction refinement provides a novel approach to the determination of reliable chemical properties through an amalgamation of x-ray diffraction data and ab initio calculations. Detailed knowledge of these properties will greatly improve our understanding of reactivity and selectivity control in chemical processes, two of the most important and challenging questions in chemistry. This project involves the synthesis of hypercoordinated molecules that serve as sterically frozen intermediates along the pathways of nucleophilic substitution reactions. Comparison of their properties with those of textbook compounds will provide a direct link to the classical Lewis notion of bonding and show that the concept of hypervalency is obsolete.

Funded Activity Details

Start Date: 01-01-2014

End Date: 24-08-2014

Funding Scheme: Discovery Early Career Researcher Award

Funding Amount: $376,470.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Structural Chemistry and Spectroscopy | Non-metal Chemistry | Catalysis and Mechanisms of Reactions | Physical Chemistry (Incl. Structural)

ANZSRC Socio-Economic Objective (SEO)

Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Physical Sciences | Inorganic Industrial Chemicals |

Other Keywords

Catalysis and Mechanisms of Reactions | Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Physical Sciences | Inorganic Industrial Chemicals | Non-metal Chemistry | Physical Chemistry (Incl. Structural) | Structural Chemistry and Spectroscopy

Related Links