Order-disorder transition of a triazoyl ketone
A family of organic compounds exhibits an order-disorder transition of its t-butyl group that can be monitored by TR-SHG (Temperature Resolved Second Harmonic Generation). Solid State NMR experiments indicate that for temperatures lower than the temperature of order/disorder of the carbon of the t-butyl, the 1H NMR peaks attributed to these hydrogen atoms become broader. This can be interpreted as the possible non equivalence of the hydrogen atoms at the molecular level. In this context, this phenomenon could be due to the freezing of the motion of the hydrogen atoms. However, it seems difficult from these data to clearly describe the behavior of the hydrogen atoms of the t-butyl upon cooling. Neutron diffraction experiments should allow us to accurately locate the hydrogen atoms at various temperatures and therefore to determine the sequence of the freezing steps for this molecule.
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Valerie DUPRAY; MASON, Sax A.; MOSSOU Estelle and SANSELME Morgane. (2016). Order-disorder transition of a triazoyl ketone. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-12-325
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