Talk:Mod:SS2510

2.1 Hydrogenation of cyclopentadiene dimer (10/10)

Good results. Nice done mentioning the evidence in the literature. You could have added a figure to explain the hydrogenation reaction, it would have made easier to follow the text.

2.2 Atropoismoerism of an intermediate related to taxol (5/10)

Good results. I am not sure that you understand well the hypersensibility of the alkenes and the Olefinic Strain Values. You could have calculated the energy of the hydrogenated derivates and compared the energy.

3. Spectroscopic simulation of an intermediate related in the synthesis of taxol (15/25)

Well done including the solvents corrections! You spotted that there are 2 different conformations, and you calculate the 13C spectra for all. However, you didn´t include de 1H NMR.

You could have calculated the K equilibrium with these energies to provide a stronger argument about the most abundant product in the equilibrium.

4. Analysis of the properties of the synthesized alkene epoxides

4.3 Crystal structures of the catalysts (5/5)

Well done finding the catalysts in the database and nice discussion about their properties.

4.4 NMR spectra of the products (2/5)

Well done finding the spectra and nice comparison with the literature values, however you don´t show the 1H NMR spectra. Also it would have been more useful if you would have drawn the molecules and assigned the signals to the different carbon.

4.5 Assigning the absolute configuration of the product (20/35)

What literature have you used for the values of the Optical Rotation in your report?

The values of the optical rotation for the (SR) and (RS) beta-methylstyrene are odd.

Good results about the enantiomer excess, but again I don´t know what references. I assume you forgot adding it, but you should be careful as part of this exercise was searching in the literature and I can´t check your references…Also you should write your results with more detail.

4.6 Investigating the non-covalent interactions in the active site of the reaction transit state (3/3)

Good results and discussion

4.7 Investigating the electronic topology in the active site of the reaction transition state (3/3)

Good results and discussion.

4.8 Suggesting new candidates for investigation (0/4)

Not answered.

Overall: Probably if you have had been more careful answering and reading what is expected in each exercise (specially the ones about NMR) you could have got a better mark. Anyways, good results.

Total Mark: 63%