Talk:Mod:wyc08

1.2.1 Cp dimers: You don’t really need to give energies in two units, kcal mol-1 is the standard and would do alone. The endo rule does is not always followed! Good to see you relating energies to structural components. Excellent discussion.

1.2.2 NAD: ‘Methyl ligand’ is not entirely the correct terminology. How did you come by Conformer 2 and 3? How does your analysis prove conformer 1 is of the lowest energy (with respect to dihedral angle)?

1.2.3 Taxol: Excellent energies and good discussion.

1.3.1 Carbene: Great to know you spotted the lack of symmetry in the PM6 computed orbitals. Can you think of a reason for this? The syn bond has a higher electron density so will be stronger than the anti C=C and will also be attacked preferentially by an electrophile. Some good work.

Mini-project: I like your graphical analysis, although you forgot to label which carbon atom corresponds to which bar. It’s not really necessary to show me the calculated spectra, your table is enough. Your analysis here is a little brief. Are there any other analytical techniques which could have been (experimentally) performed? It’s a pity you didn’t have enough time to run any further calculations.

Overall: A good piece of work. It’s a pity you didn’t investigate your project any further.