Copper(II) and Zinc(II) Complexes of Mono- and Bis-1,2,3-Triazolesubstituted Heterocyclic Ligands

17 April 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Chelating 1,4-disubstituted mono- (8a−8d) and bis-1,2,3-triazole-based (9a−11a) ligands were prepared by regioselective copper(I)-catalysed 1,3-dipolar cycloaddition of terminal alkynes with aromatic azides, together with bioconjugate 13a synthesized by amide coupling of L-phenylalanine methyl ester to 11a. Cu(II) and Zn(II) complexes were prepared and single crystal structures were determined for complexes 8aCu, 8dCu, 9cCu and 10cCu, as well as the free ligands 10a and 10c. The in situ prepared Zn(II) complexes were studied by NMR spectroscopy, while the stoichiometry of the Cu(II) complexes in solution was determined by UV-Vis titrations and confirmed by the electronic structure DFT calculations at the (SMD)/M05-2X/6-31+G(d)/LanL2DZ + ECP level of theory.

Keywords

copper ion
NMR spectra
xray crystallography
DFT analyses
zinc chelating strategies

Supplementary materials

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Title
2020-04 NPJ triazoles calc
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2020-04 NPJ triazoles cif
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Title
2020-04 NPJ triazoles supplement
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