Influence of metal–ligand ratio on benzimidazole based luminescent lanthanide complexes: 3-D network structures and chloride anion binding

2011 ◽  
Vol 35 (2) ◽  
pp. 310-318 ◽  
Author(s):  
Xiaoping Yang ◽  
Richard A. Jones ◽  
Michael M. Oye ◽  
Michael Wiester ◽  
Rachel J. Lai
Keyword(s):  
Lanthanide Complexes ◽  
Chloride Anion ◽  
Anion Binding ◽  
Network Structures ◽  
Ligand Ratio ◽  
Metal Ligand

Dinuclear Helicate or Mononuclear Pincer Lanthanide Complexes from One Ligand: Stereo-Controlled Assembly and Catalysis

2021 ◽  
Author(s):  
Ran Chen ◽  
Qian-Qian Yan ◽  
Shao-Jun Hu ◽  
Xiao-Qing Guo ◽  
Li-Xuan Cai ◽  
...  
Keyword(s):  
Lanthanide Complexes ◽  
Pincer Complexes ◽  
Controlled Assembly ◽  
Ligand Ratio ◽  
Metal Ligand

By varying the metal/ligand ratio, either dinuclear triple helicates (ΛΛ/ΔΔ-La2LR/S 3) or mononuclear pincer complexes (Λ/Δ-LaLR/S) can be stereo-selectively obtained from the same chiral bistridentate ligand (LR/S). Due to the...

Influence of the chain length and metal : ligand ratio on the self-organization processes of Cu2+ complexes of [1 + 1] 1H-pyrazole azamacrocycles

2020 ◽  
Vol 49 (25) ◽  
pp. 8614-8624 ◽  
Author(s):  
Alberto Lopera ◽  
Ariadna Gil-Martínez ◽  
Javier Pitarch-Jarque ◽  
Begoña Verdejo ◽  
Salvador Blasco ◽  
...  
Keyword(s):  
Chain Length ◽  
The Self ◽  
Self Organization ◽  
Ligand Ratio ◽  
Chain Lengths ◽  
Metal Ligand

The great versatility of the pyrazole moiety combined with polyamines of different chain lengths gives rise to remarkable coordination features.

Comparative Calorimetric and 1H N.M.R. Studies of the Interaction of Ag(I) With a Series of Mixed-Donor Macrocycles Incorporating Nitrogen, Oxygen and or Sulfur Donor Atoms

1988 ◽  
Vol 41 (9) ◽  
pp. 1347 ◽  
Author(s):  
D Baldwin ◽  
LF Lindoy ◽  
DP Graddon
Keyword(s):  
Stability Constants ◽  
Macrocyclic Ligands ◽  
Enthalpies Of Formation ◽  
Calorimetric Titration ◽  
Ligand Ratio ◽  
Deuterated Derivative ◽  
Titration Data ◽  
Ligand Species ◽  
Metal Ligand ◽  
Sulfur Donor

The interaction of silver ion with a range of mixed-donor macrocyclic ligands incorporating nitrogen, oxygen and/or sulfur donors has been investigated. Complementary calorimetric and n.m.r. studies in acetonitrile (and its deuterated derivative) were used to investigate the nature of the equilibria present as the metal/ ligand ratio was varied. In all systems the formation of a 1 : 1 species was observed, with a 1:2 (metal/ ligand ) species also being formed in the presence of excess ligand in the majority of cases. Enthalpies of formation for the various complexes have been determined. Stepwise stability constants for the respective [ AgL ]+ + L ↔ [AgL2]+ equilibria have been estimated from the calorimetric titration data, and the factors promoting the formation of the 1:2 species are discussed. The studies confirm the enhanced affinity of AgI for thioether donors over ether donors.

scholarly journals Using Remote Substituents to Control Solution Structure and Anion Binding in Lanthanide Complexes

2013 ◽  
Vol 19 (49) ◽  
pp. 16566-16571 ◽  
Author(s):  
Manuel Tropiano ◽  
Octavia A. Blackburn ◽  
James A. Tilney ◽  
Leila R. Hill ◽  
Matteo P. Placidi ◽  
...  
Keyword(s):  
Lanthanide Complexes ◽  
Solution Structure ◽  
Anion Binding ◽  
Control Solution

scholarly journals Ab Initio Non-Covalent Crystal Field Theory for Lanthanide Complexes: A Multiconfigurational Non-Orthogonal Group Functions Approach

2020 ◽  
Author(s):  
Alessandro Soncini ◽  
MATTEO PICCARDO
Keyword(s):  
Magnetic Properties ◽  
Perturbation Theory ◽  
Ab Initio ◽  
Crystal Field ◽  
Orthogonal Group ◽  
Lanthanide Complexes ◽  
Field Energy ◽  
First Order ◽  
Group Functions ◽  
Metal Ligand

We present a non-orthogonal fragment ab initio methodology for the calculation of crystal field energy levels and magnetic properties in lanthanide complexes, implementing a systematic description of non-covalent contributions to metal-ligand bonding. The approach has two steps. In the first step, appropriate ab initio wavefunctions for the various ionic fragments (lanthanide ion and coordinating ligands) are separately optimized, accounting for the electrostatic influence of the surrounding environment, within various approximations. In the second and final step, the scalar relativistic (DKH2) electrostatic Hamiltonian of the whole molecule is represented on the basis of the optimized metal-ligand multiconfigurational non-orthogonal group functions (MC-NOGF), and reduced to an effective (2J+1)-dimensional non-orthogonal Configuration Interaction (CI) problem via L{\"o}wdin-partitioning. Within the proposed formalism, the projected Hamiltonian can be implemented to any desired order of perturbation theory in the fragment-localised excitations out of the degenerate space, and its eigenvalues and eigenfunctions are systematic approximations to the crystal field energies and wavefunctions. We present a preliminary implementation of the proposed MC-NOGF method to first-order degenerate perturbation theory within our own ab initio code CERES, and compare its performance both with the simpler non-covalent orthogonal ab initio approach Fragment Ab Initio Model Potential (FAIMP) approximation, and with the full CAHF/CASCI-SO method, accounting for metal-ligand covalency in a mean-field manner. We find that energies and magnetic properties for 44 complexes obtained via an iteratively optimized version of our MC-NOGF first-order non-covalent method, compare remarkably well to the full CAHF/CASCI-SO method including metal-ligand covalency, and are superior to the best purely electrostatic results achieved via an iteratively optimized version of the FAIMP approach.<br>

Syntheses, structures and magnetism of two Cu(II) coordination polymers of d-camphorate controlled by metal-ligand ratio

2020 ◽  
Vol 502 ◽  
pp. 119387 ◽  
Author(s):  
Fang-Hua Zhao ◽  
Zhong-Lin Li ◽  
Yuan-Chun He ◽  
Mei Zhang ◽  
Jun Han ◽  
...  
Keyword(s):  
Coordination Polymers ◽  
Ligand Ratio ◽  
Metal Ligand

scholarly journals Advances in anion binding and sensing using luminescent lanthanide complexes

2021 ◽  
Author(s):  
Samantha E. Bodman ◽  
Stephen J. Butler
Keyword(s):  
Lanthanide Complexes ◽  
Anion Binding

This minireview highlights advances in anion binding and sensing using luminescent lanthanide(iii) complexes.

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