Inter- and Intra-molecular interactions probed by electron momentum spectroscopy. [ 2004-01-01 - 2007-12-31 ]

Research Grant

Researchers: Dr Michael Brunger (Chief Investigator) ,  Feng Wang (Chief Investigator) ,  Warren Lawrance (Chief Investigator)

Brief description Inter- and Intra-molecular interactions probed by electron momentum spectroscopy. High-resolution electron momentum spectroscopy (EMS) will be used to study bonding (intra-molecular interactions) in complex oriented organic species. This will allow us, in conjunction with density functional theory calculations, to evaluate the basis sets and exchange-correlation (XC) functionals employed in those calculations, thereby potentially enabling quantum chemists to build more physically accurate XC-functionals and basis sets. As chemistry largely occurs in solution, the future will increasingly focus on solvated species. Consequently, we are also initiating an EMS study of the electronic wavefunctions of solvated species with our recently developed "clusters" EMS spectrometer. This will provide the first data on the electronic wavefunctions involved in inter-molecular interactions.

Funding Amount $315,000

Funding Scheme Discovery Projects

View this grant in the ARC Data Portal