Abstract
In this paper we present an investigation of the remote nitrogen of imidazole in copper-dopedl-histidine hydrochloride monohydrate, which is a model system for a wide range of biologically important copper-imidazole complexes. Since these systems are mostly not available in a crystalline form it is interesting to investigate to what extent information that can be obtained from these disordered systems using ESEEM techniques is reliable. From single crystal ESEEM and HYSCORE experiments we have determined the hyperfine and quadrupole coupling tensors of the remote nitrogen in this model system. Additionally, we determined information on these tensors from powdered material, independent of the single crystal results, using orientation selective multifrequency and two-dimensional experiments. The availability of the coupling tensors from the single crystal investigation allowed an assessment of the applicability of the employed powder techniques to this important class of systems. The two-dimensional stimulated echo experiment was found to be a very useful spectroscopic tool for the study of these systems when combined with simulations.
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