Abstract
A study of the residual dipolar 15N,14N coupling observed in 15N cross-polarization magic angle spinning NMR spectra at variable temperature and variable field in 1-amino- and 1-nitropyrazole is reported. Residual dipolar 15N,14N coupling is present in high-resolution 15N spectra as an asymmetric (2 : 1) doublet induced by the quadrupolar 14N neighbouring nitrogen on the corresponding 15N signal. The observed spectral splittings were theoretically established by means of a second-order perturbing treatment of the complete Hamiltonian. X-ray diffraction and NQR data and theoretical calculations, in conjunction with several assumptions regarding the quadrupole tensor at each 14N site, were used to obtain successful splitting values. Copyright © 2000 John Wiley & Sons, Ltd.
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