Skip to main content Skip to navigation

The Cellular Molecular Orbital Model

The CMO model has a universal reference state based on the Woolley/Gerloch ligand field formalism (left). Its performance easily matches VSEPR theory (right) and often surpasses it.

CMO reference stateCMO-optimised structures

The CMO scheme also works for loads of cases where current models fail.

It is very much a work in progress and I will be populating this web site as time goes by.

Meanwhile, if you want to test yourselves, consider the following.

Q1. Why is the H-F bond energy in diatomic HF (567 kJ/mol) so much larger than the F-F bond energy in F2 (155 kJ/mol) while the C-F bond energy in CF4 (485 kJ/mol) is larger than the H-C energy in CH4 (413 kJ/mol)?

Q2. Why is BeH2 linear but BaH2 bent?