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Talk:Mod:jm3109

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Overall, your analysis is rather lacking, and causes most of the lost marks.

Q1

  • "The dimer returns to a polymer upon heating." I don't think so.
  • Mixed up Jmols of 1 and 2.
  • Correct energies for all compounds.
  • You didn't give any analysis on the torsion energies of 1 and 2, other than mentioning the 1,4-strain.
  • So which one, 3 or 4, is the major product of hydrogenation of 2?

Q2

  • I would have liked to see the Jmol of the optimised structures for 9 and 10 here.
  • "due to s(C-H) orbital overlapping with p*(C=O) orbital when the carbonyl group is "down" providing stability" you need to show this on the molecule.
  • "Hyperstable alkenes": too brief! and "positioning of the double bond which gives a more cage like structure and decreasing the reactivity" isn't the reason for the stability. You need to analyse the hydrogenated product.

Q3

  • How was the structure optimised?
  • Your frequencies for hydrogenated 12 are correct.
  • No bond length analysis!

Q4

  • Correct choice of Me group
  • You didn't specify which method you think is the better choice for the job.
  • A/C and B/D are actually identical species, if you look at the structures.
  • Your A' structure is wrong in both MM2 and PM6. The OAc group is nowhere near the oxonium.
  • How does all these link to the diastereoselectivity?

Mini project

  • You should cross-compare the experimental and calculated spectra to test the real ability of the technique to differentiate these isomers.
  • Correct identification of C7-8 and C1-2 in the two structures as the key carbons.
  • Were the IR frequencies corrected?