Talk:Mod:1sadia

1.2.1 Cp dimers: Your structures are wrong, this may explain why your energies are slightly off. A more in-depth discussion on the structural differences between 3 and 4 would have been nice, ie why exactly is one double bond more strained than the other and can we quantify this? Still, a good answer.

1.2.2 NAD: Good answer. One criticism (and a small one at that) would be in your presentation of your energy vs dihedral angles data, is having this in a table the best way to show an optimised minimum? Graphs are far more visually pleasing and impactful in carrying your message to the reader.

1.2.3 Taxol: You’ve drawn your molecules incorrectly which means your energies are off. Still, your discussion is good.

1.3.1 Carbene: You are correct in saying the syn alkene is more susceptible to electrophilic attack. However, a more detailed assessment of the pi interactions with the C-Cl sigma* would have been welcome, ie specifically the donation of electron density.

Mini-project: A good choice of isomers. Very good to see you attempting to extend the statistical analysis beyond simple differences. Also a nice discussion on the use of different techniques to identify the isomers. The one technique not discussed which may be useful is NOE spectroscopy, this should be able to distinguish between the isomers through the proximity of hydrogens 19 and 28 and the methyl groups at the bridgehead of the endo isomer. A very thorough project.

Overall: Your explanations are a little convoluted, your answers don’t have to be long or repetitive to be correct. Simple, direct statements are much more reader friendly. Very good project though, well done.