Posts Tagged ‘electron energy densities’

Looking at bonds in a different way: the Laplacian.

Tuesday, July 6th, 2010
No Gravatar

The Cheshire cat in Alice’s Adventures in Wonderland comes and goes at will, and engages Alice with baffling philosophical points. Chemical bonds are a bit like that too. In the previous post, we saw how (some) bonds can be tuned to be strong or weak simply by how a lone pair of electrons elsewhere in the molecule is oriented with respect to the bond. Here I explore another way of looking at bonds. To start, we must introduce a quantity known as ∇2ρ(r), henceforth termed the Laplacian of the electron density ρ(r).