Talk:Mod:boulty

Cp: Energies are all good. Would have been good to see your actual modelled structures. Your explanation for the endo-selectivity in the Diels-Alder uses some quite old-fashioned ideas - rather than MO interactions. For the 3/4 reaction - you seem to suggest that 3 would be the kinetic product. In fact you have no evidence for that - it is quite possible that 4 would be preferred both thermodynamically and kinetically. Which particular bending interactions lead to 3 having a higher energy?

NAD: Energies OK; JMol structures would have been nice. Analysis OK.

Taxol: Energies OK, and so are structures as far as I can see. I like your hydrogenation product JMol analysis.

CCl2: Very good. I like the CN-substituted example.

Mini-project: Interesting choice. Odd sentence near the start - you say that SN2 attack of water on a bromonium gives a carbocation?? I guess you mean via the more stable carbocation/via attack at the centre corresponding to the more stable carbocation. You've made some interesting points in your discussion, including the conformational flexibility of the molecule and the dependence of this on solvent. I like the idea of using DEPT to confirm which is the quaternary and which the CH2. In fact, from your calculated results, I think I would be reasonably confident of deciding which is which!