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Updated: Mar 26, 2026

Thermochemical Studies of NiII and ZnII Ternary Complexes Using Ion Mobility-Mass Spectrometry
Published on: June 8, 2022
Deciphering the Conformational Choreography of Zinc Coordination Complexes with Standard and Novel Proton NMR
Jose Enrique Herbert Pucheta1, Damien Prim2, Jean Michel Gillet3
1Université Paris-Sud, équipe de RMN en milieu orienté, Institut de Chimie Moléculaire et des Matériaux d'Orsay (ICMMO), UMR CNRS 8182, bât. 410, Université Paris-Saclay, Rue du doyen Georges Poitou, 91405, Orsay Cedex, France.
Abstract:
The presence of water has been shown to deeply impact the stability and geometry of Zn complexes in solution. Evidence for tetra- and penta-coordinated species in a pyridylmethylamine-Zn(II) model complex is presented. Novel (1) H NMR tools such as T1 -filtered selective exchange spectroscopy and pure shifted gradient-encoded selective refocusing as well as classical 2D ((1) H-(1) H) exchange spectroscopy, diffusion-ordered spectroscopy and T1 ((1) H) measurements, in combination with density functional theory methods allow the full conformational dynamics of a pyridylmethylamine-Zn(II) complex to be revealed. Four conformers and two families of complexes depending on the hydration states are elucidated.
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