For more detailed information or to access the full supplementary materials, you can view the paper at PMC - NIH .
Determining how effects at longer distances (around 5.0 Å from the gold center) influence enantioselectivity , which is crucial for creating pure chemical compounds in pharmaceuticals. MGOLD-010-MR.mp4
It visualizes the occupied volume of different quadrants around the gold metal center. This helps scientists understand how the "bulkiness" (steric effects) of a ligand impacts the efficiency and selectivity of a chemical reaction. For more detailed information or to access the
The visual data is based on computational models optimized from X-ray crystal structures . These models use a capsule-shaped volume (cylinder with rounded ends) to measure how much space atoms occupy around the central metal atom. Key Technical Details Catalyst Type: Pyrrolidinyl Gold(I) Complexes. Analysis Tool: SambVca for Buried Volume ( VBurcap V sub cap B u r end-sub ) and NEST for occupied volume quadrants. This helps scientists understand how the "bulkiness" (steric
Enantioselective Catalysis with Pyrrolidinyl Gold(I) Complexes
The video illustrates the "NEST" (Non-Empirical Space-Filling Tool) analysis of pyrrolidinyl gold(I) complexes.