Crystal structure and electrochemistry of copper(II) macrocycles containing terpyridine

Marquez, V.E.; Anacona, J.R.; Loroño, Daniel

doi:10.1016/j.poly.2004.01.023

Cited by 10 publications

(6 citation statements)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In addition in the solvent medium, the Cu−N bond distances of the Cu 2+ charged species decrease by 0.04 Å and those of Cu + by 0.02 Å. The seven-coordination environment of the Cu ion in the transition state is similar to known crystal structures. , …”

Section: Coordination and Decoordination Steps In The Redox Cyclesupporting

confidence: 62%

“…The seven-coordination environment of the Cu ion in the transition state is similar to known crystal structures. 60,61 Upon moving to acetonitrile medium, path 2 is found to be ruled out. The reason is that the intermediate (INT in Figure 3) with a two-coordination environment for the copper center is not stable and goes directly toward the nearest local minimum (either Cu 2+ 5 or Cu 2+ 4 ) in spite of all our efforts to get a stable intermediate or transition state.…”

Section: Coordination and Decoordination Steps In The Redox Cyclementioning

confidence: 99%

See 1 more Smart Citation

Computational, Structural, and Mechanistic Analysis of the Electrochemically Driven Pirouetting Motion of a Copper Rotaxane

et al. 2009

View full text Add to dashboard Cite

A mechanism for the electrochemically driven reorganization of a model copper [2]pseudorotaxane is proposed on the basis of density functional theory computations and validated by comparing to experimental results. We investigate in detail the ligand reorganization around the Cu ion from a 4 to 5 coordination number that follows the conversion of the oxidation state from +1 to +2. It is found that for both the oxidation and the reduction processes the rearrangement proceeds in a concerted fashion via a single transition state. Energy paths involving stable decoordinated-coordinated intermediates are computed to be higher in energy. The cyclic voltammogram simulated using the computed transition theory state rate constants in solvent medium is in good agreement with the experimental voltammogram. Further, we report on the computed concentration change of stable (Cu(+)(4), Cu(2+)(5)) and metastable species (Cu(2+)(4), Cu(+)(5)) during single cyclic voltammetry (CV) cycle as a function of the applied voltage or time (the subscripts 4 and 5 refer to the coordination number of the copper center).

show abstract

Section: Coordination and Decoordination Steps In The Redox Cyclesupporting

confidence: 62%

Section: Coordination and Decoordination Steps In The Redox Cyclementioning

confidence: 99%

Computational, Structural, and Mechanistic Analysis of the Electrochemically Driven Pirouetting Motion of a Copper Rotaxane

et al. 2009

View full text Add to dashboard Cite

show abstract

“…[9,23,41,42] The lower-energy band around 1300 nm assigned to the transition 2 AЈ 1 Ǟ 2 EЈ 2 in pentagonal-bipyramidal complexes of copper(II) was not detected in the present work.…”

Section: Electronic Spectroscopycontrasting

confidence: 62%

Evolution of the Coordination‐Sphere Symmetry in Copper(II), Nickel(II), and Zinc(II) Complexes with N,N′‐Double‐Armed Diaza‐Crown Ethers: Experimental and Theoretical Approaches

et al. 2014

View full text Add to dashboard Cite

crown-6 ligand were determined by means of X-ray crystallography. The Ni II complex is centrosymmetric; the geometry around the metal ion is slightly distorted octahedral whereby the equatorial sites were occupied by four N atoms, and the axial positions by two O atoms that come from the crown moiety. For the Zn IIdiaza[18]crown-6 complex, an irregular octahedral coordination was observed whereby the metal ion is asymmetrically placed in the macrocyclic cavity. The equatorial plane is occupied by two N and two O atoms of the crown moiety, and two N atoms of the triazolyl motifs on the pendant arms occupy the axial positions. The diamagnetic character of the Zn II ion allows its structural study in solution by NMR spectroscopy. A dynamic behavior was observed at room tem-

show abstract

“…Structural analyses of copper complexes with N‐donor ligands have revealed the remarkable flexibility of the coordination geometry, which stabilizes and enforces such geometries as trigonal, square‐planar, but mostly tetragonal geometries in the case of copper(I) . On the other hand, copper(II) prefers trigonal‐bipyramidal, square‐pyramidal, and octahedral geometries, although appropriately designed ligands such as terpyridine‐based macrocycles can enforce copper(II) to adopt a pentagonal‐bipyramidal geometry. This extensive coordination chemistry of copper(I/II) implies a wide spectrum of supramolecular architectures such as grids, helicates, rack‐like complexes, or coordination polymers .…”

Section: Introductionmentioning

confidence: 99%

Molecular Switching of Copper Complexes with Quaterpyridine

et al. 2016

View full text Add to dashboard Cite

Chemically and electrochemically induced interconversion between five one-stranded complexes of copper(II) and the respective double-stranded helicates of copper(I) bearing the ligand 6,6′′′-dimethyl-2,2′:6′,2′′:6′′,2′′′-quaterpyridine (L) culminated in different luminescence properties. Five new mononuclear complexes of copper(II) bearing the ligand L {[Cu II LCl 2 ] (1), [Cu II L(ClO 4 ) 2 ] (2), [Cu II L(NO 3 ) 2 ] (3), [Cu II L(CF 3 SO 3 ) 2 ] (4), and [a] 861 [a] Standard uncertainties are given in parentheses. [b] A, B, C, and D denote the least-squares planes of the pyridine rings in quaterpyridine.

show abstract

Crystal structure and electrochemistry of copper(II) macrocycles containing terpyridine

Cited by 10 publications

References 27 publications

Computational, Structural, and Mechanistic Analysis of the Electrochemically Driven Pirouetting Motion of a Copper Rotaxane

Computational, Structural, and Mechanistic Analysis of the Electrochemically Driven Pirouetting Motion of a Copper Rotaxane

Evolution of the Coordination‐Sphere Symmetry in Copper(II), Nickel(II), and Zinc(II) Complexes with N,N′‐Double‐Armed Diaza‐Crown Ethers: Experimental and Theoretical Approaches

Molecular Switching of Copper Complexes with Quaterpyridine

Contact Info

Product

Resources

About