Study of nitrogen-14 pure nuclear quadrupole resonance in 1,3,4-oxadiazole
1974; American Institute of Physics; Volume: 61; Issue: 4 Linguagem: Inglês
10.1063/1.1682093
ISSN1520-9032
AutoresL. Guibé, M. Gourdji, A. Péneau, Lise Nygaard,
Tópico(s)Electron Spin Resonance Studies
ResumoThe nitrogen-14 nuclear quadrupole resonance has been investigated in 1,3,4-oxadiazole. The observed quadrupole coupling constants are compared to the values from microwave spectroscopy (MW) and discussed in terms of valence orbital populations on the nitrogen atom using principal directions of the electric field gradient tensors as defined by the MW results. The temperature dependence of the resonance frequencies ν(T) show no phase transition between 4.2 and 246°K where the lines begin to disappear. Discussion of the ν(T) curves reveals the contribution of crystal thermal motions at about 85 cm−1 and of intramolecular motions at about 590 cm−1 which is compared with the value of 625 cm−1 obtained by ir spectroscopy. Deuteration of the sample brings no appreciable change of the resonance frequencies.
Referência(s)