Dear Rietvelders My apologies if the question is somewhat off-topic, but I don't know anywhere else to post it.
I need to describe the interaction in a pi-pi stacked, coplanar aromatic ring system. The standard parameter, which can be obtained easily, is the distance of the l.s. planes of the rings. I'd like to go further and calculate the degree of overlap in terms of the area shared by the rings. The procedure I'm thinking of is: (i) Project the area covered by ring 1 on the area of ring 2 (ii) Calculate the intersection of the projected area of ring 1 and the area of ring 2 (iii) Take the percentage of the intersection (area) with respect to the area of ring 2 A concrete example: Two coplanar benzene rings in the same orientation with respect to their sixfold axes would have a degree of overlap of 100%. Did anyone come across a program capable of doing this calculation, or does anyone have an alternative (better) suggestion to describe the degree of overlap? Thanks for your help in advance. Regards Franz Werner -- Vienna University of Technology Institute of Applied Synthetic Chemistry Vienna, Austria -- GRATIS für alle GMX-Mitglieder: Die maxdome Movie-FLAT! Jetzt freischalten unter http://portal.gmx.net/de/go/maxdome01
