Thread: How do NMR tell the conformation of a molecule?
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Unread 12-24-2005, 12:14 PM
nemeczek nemeczek is offline
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Default How do you use NMR to tell the conformation of a molecule?
Find the Karplus curve which describes the dependence of J on the value of the H-C-C-H dihedral angle.First of all, you need to be sure that the rate of interconvertion between the conformations is slow at the NMR time scale. If it is too fast, you will observe the average conformation by NMR. It can still provide you some information as to the population distribution between the conformations, though.If your molecule contains a six- or five-membered ring, the dihedral angle between H(axial)-C-C-H(axial) is obviously different than for its equatorial-equatorial counterpart. It would manifest itself in a different value of J.
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