Talk:Ejc107:001

Comments.

Cyclopoentadiene. Can you expand on what kinetic control actually means (and what you would have to calculate to model it?). Why is the second step thermodynamic and not kinetic? You do not mention the lower bending term for 4. What might that mean? Can you turn it into a prediction?

Prolinol. Good result for first part. How could you improve the model? (ei how can you model Mg?). Good second part, but could expand upon chelation vs steric control (one is attratcive, the other repulsive!).

Taxol: Excellent results, particularly getting the rhs ring into a chair!

Carbene: MOs look fine! Good explanation. Could have put in more discussion on the effects seen in the IR frequencies though, ie comparison of the syn and anti, and of the effects of hydrogenating one alkene.

Project. Not immediately obvious from your introduction what the objective of the project actually was! You modelled both reactants and quote energies, but where did the energies come from? If its mechanics, then you cannot really use these to calculate much. You finally get to the point in the nice bar chart, which seems to show both isomers with almost identical 13C? But I like the final result, where you used 1H! You could, for free, have compared the predicted 15N shifts for good measure! Perhaps that is the best method of all?