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Updated: Jul 5, 2026

Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
2D NMR Methods for Structural Delineation of Copper(II) Complexes of Penicillin and Pilocarpine
E Gaggelli1, N Gaggelli, G Valensin
1Department of Chemistry University of Siena Pian dei Mantellini 44 Siena I-53100 Italy.
Abstract:
A method was developed for delineating the structure of paramagnetic metal complexes. The selective disappearance of cross-peaks in proton-carbon shift correlated 2D NMR maps was shown to uniquely depend upon the scalar and/or dipolar interaction between ligand nuclei and the unpaired electron(s), thus providing a means of identifying binding sites. Copper(II) was shown to form metal complexes with both Penicillin (PNC) and Pilocarpine (PLC) and the structure of the two 1:2 complexes in water solution at physiological pH were determined.
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