Talk:Mod:TKMORG

1.1 Part 1 (26/45%)

1.1.1 Formation and Hydrogenation of Cyclopentadiene Dimer (9/10%)

Good job, you get the results well and you answer the question very nicely. Good discussion about the energy differences of the compounds. Even though you could have explained better what kinetic/thermodynamic control of the reaction means. (9/10%)

1.1.2 Atropisomerism in an Intermediate related to the Synthesis of Taxol (7/10%)

Due to the ciclohexane motif, each of the molecules has 4 possible configurations, 2 chairs and 2 twist boats. You have only done the chairs. Maybe you did all of them as you get the correct result, but you haven´t reported here, so I can´t give you the full mark as a discussion about it is required. (2/5%)

Well done including the parent hydrocarbons to support your argument about the stability. And also good job with the research in the literature (5/5%).

1.1.3 Taxol NMR - Spectroscopic Simulation using Quantum Mechanics (10/25%)

Again, there tow possible conformations for this molecule, a chair and a boat. You missed this (0/5%). Well done obtaining the spectra, but the comparison with the literature is very vague, and this is one of the most important bits of this exercise. You should have done some statistical analysis and compare the different peaks, perhaps then you could have got a better idea of why they are different with the literature values. (10/20%)

1.2 Part 2 (51/55%)

1.2.1 The Crystal Structures of the Shi Catalyst and the Jacobsen Catalyst (5/5%)

Well done, nice presented and good discussion. (5/5%)

1.2.2 The Calculated NMR Properties of the Epoxides (3/5%)

Well done, but a comparison with the literature values is missing…(3/5%)

1.2.3 The Assignment of the Absolute Configurations for Alkenes 2 and 4 (33/35%)

Well done, and nice way of presenting your results. However you could have given more details about how you have calculated the enantiomeric excess to get the full mark in this exercise.

1.2.4 NCI and QTIAM Analysis for the Transition State (6/6%)

Good job!

1.2.6 New Candidates (4/4%)

Nice!

General Comments:

I think that you need to revise the possible conformations of ciclohexame motifs, as you missed this in a couple of exercise, and as this is an organic module, you are required to know it. However, you have done a very nice report and presented you results very clear and nicely. Good job!

Mark: 77%