These slides present a walkthough of performing a Percent Buried Volume (%Vbur) calculation. The %Vbur is a measurement of the bulk of a ligand coordinated to a transiton metal. The calculation uses the crystal structure of a compound to determine how much space a ligand occupies. It does this by placing the metal at the center of a sphere and then calculates the volume of that sphere occupied by the ligand. Originally developed for N-heterocyclic carbene (NHC) ligands, it has also been applied to mono- and bidentate phosphines.
|Updated 5 slides||296.5 KB|
|Original 5 slides for the older version of the site||362.98 KB|
|Videos for original 5 slides||4.36 MB|
This presentation was a step-by-step guide to performing a %Vbur calculation using a crystal structure from the literature. With the newer graphical version of the site that information is no longer useful. However, the 5 slides should give you the backgrounded needed to understand what this calculation is all about.