MRD:01496292

On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface?

The transition state is defined by the point at which ∂V(ri)/∂ri=0. Therefore, in a potential energy surface plot, we are looking for the point where ∂V(r1)/∂r1=0 and ∂V(r2)/∂r2=0. (transition state pic) Because the energy goes down along the minimum energy path for a reaction, then if the reactants starts a trajectory at the transition state with no initial momentum, it will never leave that point in space. To identify whether the stable point is at the transition state or at a local minimum, we can follow the calculations below: 1. If fr1fr1