Spectroscopic studies of ambiphilic molecular complexes. Activation of small molecules with non-transition metal catalysis
EMSL Project ID
39979
Abstract
This project will provide fundamental insight into the catalytic activation and transformation of small molecules, e.g., H2, CO2, N2, CH4, by non-metal Lewis pairs in condensed phase environments. The approach will use a combination of experimental approaches (NMR, calorimetry, x-ray and neutron scattering analyses) coupled with computational (Density Functional Theory and Molecular Orbital) electronic structure methods to characterize the properties of bifunctional/ambiphilic catalytic molecular complexes. The fundamental insight gained from these studies will be used to develop predictive molecular-level structure-function relationships models that will enable the optimized molecular design to enhance catalytic control and selectivity in small molecule molecular transformations.
Project Details
Project type
Large-Scale EMSL Research
Start Date
2010-10-01
End Date
2013-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members