Summary — Dioxygen Complexes with Transition Metal

Abstract

I will give you ray take-home message from each talk, and each of you will have your own take-home message, which does not necessarily have to be the same as mine. First, if you remember, Mike Hall did a beautiful job of telling us all about the virtues of molecular orbital theory. My take home message here is that molecular orbital theory is here to stay; it explains “everything” providing one uses the theory properly. The thing that I was personally interested in was the fact that apparently the people at Strasbourg who did the ab initio calculations on the manganese porphyrin dioxygen complex may have arrived at the wrong assignment of structure because of not having included some parameter in their calculations. The calculations done more recently by Mike support our structure, which was based on experiment. This is why as an experimental chemist I always tell students to do experiments and not be turned off by theory.