Dinuclear copper(I) complexes with hexaaza macrocyclic dinucleating ligands: structure and dynamic properties |
| |
Authors: | Costas Miquel Xifra Raul Llobet Antoni Solà Miquel Robles Juvencio Parella Teodor Stoeckli-Evans Helen Neuburger Markus |
| |
Institution: | Departament de Química, Universitat de Girona, Campus de Montilivi E-17071, Girona, Spain. |
| |
Abstract: | The synthesis and structural and spectroscopic characterization of a family of copper(I) complexes, containing a dinucleating hexaaza macrocyclic ligand, of general formula Cu(2)(L)(X)(2)](2+) (L = Me2p, Me2m, Me3p, or Me3m; X = MeCN, n-PrCN, CO, t-BuNC, or PPh(3)) is described. This family of complexes contains ligands that differ from one another in the number of methylenic units linking the tertiary amines and in the meta or para substitution of their aromatic rings. The structural characterization in the solid-state includes a single-crystal X-ray diffraction analysis of Cu(2)(Me2p)(CO)(2)](2+) and of Cu(2)(Me2m)(t-BuNC)(2)](2+). In solution, those complexes are structurally characterized through NMR spectroscopy that also allows us to put forward and establish their fluxional behavior. Theoretical calculations at the DFT level have also been performed in order to further analyze the relative energy of the different potential isomers as well as to gain insight into their chemical properties. Finally, the influence of the hexaaza ligands over different structural aspects as well as on its potential chemical reactivity is discussed. |
| |
Keywords: | |
本文献已被 PubMed 等数据库收录! |
|