Talk:Complab1:zeya1989

1.2.1 Cp dimers: Structures and energies are fine. Why is the endo-isomer kinetically preferred?

1.2.2 NAD: Looks fine. I believe it's possible to find both "up" and "down" C=O conformers for 7.

1.2.3 Taxol: Good. Why does the sp2 to sp3 transformation decrease the stability of 9/10?

1.2.4 Carbene: V. good

Mini-project: A tricky choice since these acyclic molecules will be conformationally flexible. The relative stability of the conformers might well be solvent dependent. If time had allowed, you could have done calcs on other confs to see how big the effect is on the NMR. While you compared the calculated data to the lit, it would have been good to have discussed whether the 13C NMR prediction could have allowed you to tell the isomers apart with confidence. What techniques (apart from optical rotation, which would need the compounds to be "known" in the first place) do you think would allow you to distinguish them?