Abstract
93 Nb NQR spectrum in NbCl 5 has been investigated from 4.2 K to 480 K. The coupling constant shows an unusual positive temperature dependence at low temperatures. The EFG tensor is calculated with the d 2 sp 3 octahedral bond functions. The experimental data are analysed in terms of the contributions from the σ- and π-bonds. It is shown that the positive temperature dependence can be explained by the p π -d π bond mechanism. The theory is also applied to the related compounds and the consistency with the analysis of the halogen coupling constants is shown.
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