Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N’-donor ligands

Abstract

Background: Design of new metal complexes is an interesting field for development of new functional molecular-based materials. In this process by the usage of mixed functional ligands one can precisely tune the physical and chemical properties of those metal complexes. However, it is difficult to obtain the desired complex in many cases for factors like different coordination abilities of the ligands and the types of anions have a great influence on the structure.(ClO 4 ) 2 (4), and [Cu 2 (Bipy) 4 (H 2 PO 4 )] (5) (where Bipy = 2,2'-bipyridine, Phen = 1,10-phenanthroline, 4,7-Phen = 4,7-hydroxy-1,10-phenanthroline, 5-TPC = 5-chloro-2-thiophene carboxylate) has been synthesized and characterised using single crystal X-ray diffraction studies. In all the compounds, the N,N' ligand coordinates in a bidentate chelating manner and the copper has a square pyramidal geometry. Conclusions: Complexes (1,2) are expected to be isostructural due to similarity of the N.N'-chelating ligands used, but due to the difference in supramolecular architectures no similar unit cells were observed. This is important in crystal engineering point of view. Complexes (1-4) possess the neutral mononuclear and complex (5) possesses a dinuclear entity. These entities are connected by intermolecular interactions like X•••π, H•••X, (X = Cl) generating supramolecular architectures.

Mechanisms of the Higher Catalytic Activity of Polymer Forms over Complexes for Non-pyrolytic Mono-1,10-phenanthroline-Coordinated Cu2+ (Cu-N2 Type) in an Oxygen Reduction Reaction

“…All boxes were initially constructed based on 1.18 or 1.79 g/cm 3 , which is close to the experimental density of Cu-Phen complexes or polymers. − After the optimization, the dynamics procedure was carried out as follows: (a) NVT ensemble MD simulation for 100 ps at 300 K; (b) NPT ensemble MD simulation for 100 ps at 300 K; (c) annealing simulations are run for 50 ps every 100 K from 300 to 600 K and then from 600 to 300 K; and (d) NPT ensemble MD simulation for 500 ps at 300 K. Steps c through d should be repeated three times. Finally, a 5 ns equilibration at NPT was carried out.…”

4-Oxo-7-fluoro-1,10-phenanthroline-2,9-diamides: Synthesis, Structural Features, Lanthanide Complexes, and Am(III)/Ln(III) Solvent Extraction

“…Nowadays, there is a significant interest in 1,10-phenanthroline ligands as nitrogen-containing building blocks for coordination and organometallic chemistry. , These ligands have functionalized substituents that enhance their efficiency in separating f-elements. − Additionally, the presence of chiral centers in these ligands allows for asymmetric complex catalysis. − Half-sandwich Ru­(II), Ir­(III), and Rh­(III) complexes with substituted 1,10-phenanthrolines have been proven to be highly effective catalysts. − Furthermore, Ru­(II) complexes of substituted phenanthrolines have shown potential in treating brain cancer. , Copper­(II) and nickel­(II) complexes with asymmetric phenanthroline derivatives have also been extensively studied. − Unsymmetrical 1,10-phenanthrolines have been identified as promising ligands for Ru­(II) complexes to act as photosensitizers in solar cells . Moreover, a Ru-complex of 4,7-diaminosubstituted 1,10-phenanthroline has been reported to be useful for selective dual-channel detection of Cu­(II) ions .…”

Synthesis and crystal structure of the copper (II) carboxylate with 2,2-bipyridine, [Cu(4-mba)2(bipy)(H2O)]

“…To coordinate compound formation, 2,2'-bipyridine (bipy) and phenanthroline are used due to their effectiveness in catalysis, electrochemistry, analytical chemistry and biochemistry [1]. These ligands have extended π-systems and their complexes show various π-π interactions that participate in the supramolecular architecture [2].…”