In general, fluoride ion affinity, ammonia binding energy, photoacoustic IR spectra of adsorbed species (pyridine, CO) are used to measure the Lewis acidity of a material.
But in the computer simulation method, such methods are not suitable to calculate nanoclusters Lewis acidity because of the susceptible electronic environment of the system
[if extra species placed near a nanocluster, nanoclusters change their configuration and form chemisorption as nanoclusters are unstable (tend to form bigger species: nucleation. Furthermore, it might be a global minimum (GM)].
Thus, I concluded that calculating electron affinity (EA) might be the most suitable method to calculate the Lewis acidity of nanoclusters (overall, not for each cation/active site).
What do you think about the method to calculate the Lewis acidity for the nanoclusters system? or is there a method to calculate the Lewis acidity of each atom site for the nanoclusters system?