Talk:Mod:filmubs278

- I've forgotten to include the reference for my mini-project. As it's past the deadline, I'd don't want to edit it into the main wiki...thought it was best to post it here instead. DOI:10.1021/jo00192a049[1]

OK, thanks!

Cp: Structures and energies for the dimers look good (although you've given too many dec. places). Also, good explanation for the endo-selectivity. Why is the exo-isomer thermodynamically preferred? Good energies/structures/discussion for 3/4.

NAD: Structure 5 looks OK; 6 is the wrong diastereomer (Me on wrong face) I think. Structure 7 OK but in this case, the nucleophile does NOT coordinate to the carbonyl.

Taxol: Structures and energies look great. What interactions make the hydrogenation product unstable?

CCl2: Although the structures and orbitals look OK, you haven't discussed the IR stretches of the alkene and C-Cl bond, and how they can be explained in terms of the bonding.

Mini-project: Interesting example. What would you think would be the best way to tell them apart in "real life"? Not sure why your trans-isomer is so much higher in energy - would have been a good idea to search for lower energy conformations (you do hint at that). Some pretty representations of the data comparison, but it would have been nice to have something more quantitative (e.g. at a simple level, for each of the isomers, how many of the predicted carbons match the "right" isomer more closely than the "wrong" one? Or you could have used the Goodman applet referenced in the manual.)