Synthesis and photoluminescence properties of pink luminescent heteroleptic Sm(III) complexes; the role of DMSO in transforming the inner coordination sphere and on photophysical properties. Sparkle/RM1 calculation

Polyhedron ◽  
2017 ◽  
Vol 127 ◽  
pp. 191-202 ◽  
Author(s):  
Rashid Ilmi ◽  
K. Iftikhar
Keyword(s):  
Coordination Sphere ◽  
Photophysical Properties ◽  
Photoluminescence Properties

scholarly journals Using internal electrostatic fields to manipulate the valence manifolds of copper complexes

2021 ◽  
Author(s):  
Alexander B. Weberg ◽  
Samuel P. McCollom ◽  
Laura M. Thierer ◽  
Michael R. Gau ◽  
Patrick J. Carroll ◽  
...  
Keyword(s):  
Coordination Sphere ◽  
Copper Complexes ◽  
Photophysical Properties ◽  
Redox Potentials ◽  
Electrostatic Effects ◽  
Electrostatic Fields ◽  
Secondary Coordination Sphere

Secondary coordination sphere electrostatic effects tune the valence manifolds of copper centers, impacting molecular geometries, photophysical properties, and redox potentials.

The critical role of the coordination sphere in the high-efficiency blue-light emission from aminopyrazine metal-organic polymers

2021 ◽  
Vol 186 ◽  
pp. 109025
Author(s):  
João Humberto Dias Campos ◽  
Meiry Edivirges Alvarenga ◽  
Maykon Alves Lemes ◽  
José Antônio do Nascimento Neto ◽  
Freddy Fernandes Guimarães ◽  
...  
Keyword(s):  
Blue Light ◽  
Coordination Sphere ◽  
High Efficiency ◽  
Light Emission ◽  
Critical Role ◽  
Organic Polymers ◽  
Blue Light Emission ◽  
Metal Organic

Phenol Reduces Nitrite to NO at Copper(II): Role of a Proton-Responsive Outer Coordination Sphere in Phenol Oxidation

2020 ◽  
Vol 142 (4) ◽  
pp. 1726-1730 ◽  
Author(s):  
Aditesh Mondal ◽  
Kiran P. Reddy ◽  
Jeffery A. Bertke ◽  
Subrata Kundu
Keyword(s):  
Coordination Sphere ◽  
Phenol Oxidation ◽  
Outer Coordination Sphere

scholarly journals Indenopyrans – synthesis and photoluminescence properties

2016 ◽  
Vol 12 ◽  
pp. 825-834 ◽  
Author(s):  
Andreea Petronela Diac ◽  
Ana-Maria Ţepeş ◽  
Albert Soran ◽  
Ion Grosu ◽  
Anamaria Terec ◽  
...  
Keyword(s):  
Solid State ◽  
Emission Band ◽  
Fluorescence Spectra ◽  
Photophysical Properties ◽  
Quantum Yields ◽  
Band Broadening ◽  
Photoluminescence Properties ◽  
Fluorescence Quantum Yields ◽  
Blue Emitters ◽  
Solid State Fluorescence

New indeno[1,2-c]pyran-3-ones bearing different substituents at the pyran moiety were synthesized and their photophysical properties were investigated. In solution all compounds were found to be blue emitters and the trans isomers exhibited significantly higher fluorescence quantum yields (relative to 9,10-diphenylanthracene) as compared to the corresponding cis isomers. The solid-state fluorescence spectra revealed an important red shift of λmax due to intermolecular interactions in the lattice, along with an emission-band broadening, as compared to the solution fluorescence spectra.

Coordination chemistry of mercury(ii) halide complexes: a combined experimental, theoretical and (ICSD & CSD) database study on the relationship between inorganic and organic units

2020 ◽  
Vol 49 (34) ◽  
pp. 11859-11877 ◽  
Author(s):  
Ali Samie ◽  
Alireza Salimi ◽  
Jered C. Garrison
Keyword(s):  
Coordination Chemistry ◽  
Coordination Sphere ◽  
Predominant Role ◽  
Database Study ◽  
Halide Complexes ◽  
The Relationship ◽  
Inorganic And Organic

The coordination sphere can be influenced by many factors of inorganic and organic units. Despite the predominant role of inorganic unit in coordination sphere determination, organic unit can change it via one major or cooperativity of minor effects.

scholarly journals Детерминизм локального атомного упорядочения в монослоях золота в формировании их электронной структуры

2022 ◽  
Vol 64 (3) ◽  
pp. 303
Author(s):  
В.Л. Карбовский ◽  
А.А. Романский ◽  
Л.И. Карбовская ◽  
В.В. Стонис
Keyword(s):  
Coordination Sphere ◽  
Electronic States ◽  
Mutual Arrangement ◽  
Quantum Mechanical ◽  
Quantum Mechanical Calculations ◽  
The Third ◽  
Long Range Interactions ◽  
Valence Bands ◽  
D Orbitals

The total and partial densities of electronic states of gold monolayer structures of different symmetry are calculated by the quantum mechanical calculations methods in the DFT approximation. It is shown that the first coordination sphere is determinant in the formation of the fine structure and the extent of the valence bands of the monolayer gold structures under study. The peaks splitting of the TDOS curve, which leads to its finer structure, is influenced not only by the lengths of interatomic bonds but also by the mutual arrangement of atoms. The influence of long-range interactions on the electronic structure of gold monolayers has been established. For example, for the (110) plane, a change in the atomic ordering in the third coordination sphere as a result of the introduction of a vacancy leads to noticeable changes in the TDOS curve, which indicates either a significant role of the atoms of the third coordination sphere or a significant redistribution of the interaction of d-orbitals of different symmetries of close neighbours. A correlation between the packing density, as well as the number of neighbours in the first coordination sphere, and the width of the energy band of gold monolayers has been established.

Secondary Coordination Sphere Effects in Ruthenium(III) Tetraammine Complexes: Role of the Coordinated Water Molecule

2015 ◽  
Vol 54 (4) ◽  
pp. 2067-2080 ◽  
Author(s):  
Maykon L. Souza ◽  
Eduardo E. Castellano ◽  
Joshua Telser ◽  
Douglas W. Franco
Keyword(s):  
Water Molecule ◽  
Coordination Sphere ◽  
Secondary Coordination Sphere ◽  
Coordinated Water

Structure of the Second Coordination Sphere of Transition Metal Complexes. II. Substituted Anilines as Ligands

1971 ◽  
Vol 49 (8) ◽  
pp. 1218-1223 ◽  
Author(s):  
D. R. Eaton ◽  
H. O. Ohorodnyk ◽  
Linda Seville
Keyword(s):  
Coordination Sphere ◽  
Methylene Chloride ◽  
Chemical Shifts ◽  
Cobalt Complex ◽  
Cobalt Atom ◽  
Amino Group ◽  
Substituted Anilines ◽  
Second Coordination Sphere ◽  
Solvent Molecules

The role of substituted anilines as second coordination sphere ligands of cobalt(II) complexes has been investigated. Chemical shifts of the ligand nuclear magnetic resonance (n.m.r.) spectra arising from pseudo-contact interaction with the paramagnetic cobalt complex have been utilized for this purpose. It has been found that in each case the aniline preferentially occupies a position perpendicular to the three fold symmetry axis of the complex and tends to be aligned with the amino group directed towards the cobalt atom. Electron withdrawing substituents para to the amino group enhance the second coordination sphere binding and electron donating substituents diminish it. These results are consistent with the idea that the structure of the second coordination sphere is determined by electrostatic interaction with the negatively charged ligands comprising the first coordination sphere. There is competition between aniline molecules and solvent molecules for a position in the second sphere with the solvent competing with increasing effectiveness in the series carbon tetrachloride, benzene, and methylene chloride.

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