Abstract
3,5-Dimethylpyrazole forms planar N-H…N hydrogen-bonded trimers in the solid state (fig. 1) with point symmetry 32 or D3 1). The NH hydrogen atoms must therefore be disordered, and recent 13C, 15N CP-MAS magnetic resonance and 14N quadrupole double resonance studies 2) have shown that this disorder is a dynamic effect, in which correlated triple hydrogen jumps occur within a given trimer with an activation energy of 45.7 kJ mol-1 between 260 K and 350 K.
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Aguilar-Parrilla, F., Limbach, HH., Blanz, M., Rayner, T.J., Smith, J.A.S. (1990). 14N and 1H Spin-Lattice Relaxation in Solid 3,5-Dimethylpyrazole. In: Mehring, M., von Schütz, J.U., Wolf, H.C. (eds) 25th Congress Ampere on Magnetic Resonance and Related Phenomena. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-76072-3_326
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DOI: https://doi.org/10.1007/978-3-642-76072-3_326
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