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Updated: Jul 28, 2025
Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
Conformational dynamicity in a copper(II) coordination complex
Paul J Griffin1, Matthew J Dake1, Alesandro D Remolina1
1Department of Chemistry, Center for Biophysics and Quantitative Biology, and Materials Research Laboratory, University of Illinois at Urbana-Champaign, Urbana, Illinois, 61801, USA. lolshans@illinois.edu.
Abstract:
The geometries of copper coordination complexes are intricately related to their electron transfer capabilities, but the role of dynamics in these processes are not fully understood. We have previously reported CuCl(dpaOMe), a complex exhibiting conformational fluxionality in its CuI state and rigidity upon oxidation to CuII. Here, we report the synthesis and characterization of [CuCl(dpaSMe)]+/0, a complex exhibiting relative rigidity in its CuI state and structural dynamics upon oxidation to CuII. The dynamics of [CuCl(dpaSMe)]+ were characterized via X-ray diffraction, cyclic voltammetry, and EPR spectroscopy, where temperature-dependent interconversion between trigonal bipyramidal and square pyramidal geometries is observed. Coupling these solid and solution-state characterization data enabled assignment of the coordination geometries involved. Factors impacting these dynamics and their potential implications for electron transfer are discussed.
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