Deciphering the Conformational Choreography of Zinc Coordination Complexes with Standard and Novel Proton NMR Techniques Combined with DFT Methods
Résumé
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–
ZnII model complex is presented. Novel 1H NMR tools
such as T1-filtered selective exchange spectroscopy and pure
shifted gradient-encoded selective refocusing as well as classical
2D (1H–1H) exchange spectroscopy, diffusion-ordered spectroscopy
and T1(1H) measurements, in combination with density
functional theory methods allow the full conformational dynamics
of a pyridylmethylamine–ZnII complex to be revealed.
Four conformers and two families of complexes depending on
the hydration states are elucidated.