Investigating the Role of the Outer-Coordination Sphere in [Ni(PPh2NPh-R2)2]2+ Hydrogenase Mimics

2012 ◽  
Vol 51 (12) ◽  
pp. 6592-6602 ◽  
Author(s):  
Avijita Jain ◽  
Matthew L. Reback ◽  
Mary Lou Lindstrom ◽  
Colleen E. Thogerson ◽  
Monte L. Helm ◽  
...  
Keyword(s):  
Coordination Sphere ◽  
Outer Coordination Sphere

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 Cover Picture: The Role of a Dipeptide Outer-Coordination Sphere on H2 -Production Catalysts: Influence on Catalytic Rates and Electron Transfer (Chem. Eur. J. 6/2013)

2013 ◽  
Vol 19 (6) ◽  
pp. 1837-1837
Author(s):  
Matthew L. Reback ◽  
Bojana Ginovska-Pangovska ◽  
Ming-Hsun Ho ◽  
Avijita Jain ◽  
Thomas C. Squier ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Coordination Sphere ◽  
H2 Production ◽  
Outer Coordination Sphere

The Role of Solvent and the Outer Coordination Sphere on H2Oxidation Using [Ni(PCy2NPyz2)2]2+

2015 ◽  
Vol 2015 (31) ◽  
pp. 5218-5225 ◽  
Author(s):  
Arnab Dutta ◽  
Sheri Lense ◽  
John A. S. Roberts ◽  
Monte L. Helm ◽  
Wendy J. Shaw
Keyword(s):  
Coordination Sphere ◽  
Outer Coordination Sphere ◽  
Role Of Solvent

The Role of a Dipeptide Outer-Coordination Sphere on H2-Production Catalysts: Influence on Catalytic Rates and Electron Transfer

2012 ◽  
Vol 19 (6) ◽  
pp. 1928-1941 ◽  
Author(s):  
Matthew L. Reback ◽  
Bojana Ginovska-Pangovska ◽  
Ming-Hsun Ho ◽  
Avijita Jain ◽  
Thomas C. Squier ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Coordination Sphere ◽  
H2 Production ◽  
Outer Coordination Sphere

Evaluating the role of acidic, basic, and polar amino acids and dipeptides on a molecular electrocatalyst for H2 oxidation

2017 ◽  
Vol 7 (5) ◽  
pp. 1108-1121 ◽  
Author(s):  
Nilusha Priyadarshani Boralugodage ◽  
Rajith Jayasingha Arachchige ◽  
Arnab Dutta ◽  
Garry W. Buchko ◽  
Wendy J. Shaw
Keyword(s):  
Amino Acids ◽  
Coordination Sphere ◽  
Oxidation Catalysts ◽  
Outer Coordination Sphere ◽  
H2 Oxidation

Outer coordination sphere interactions reduce the overpotential for H2 oxidation catalysts (brown ellipse) compared to those that have –COOH groups but don't have stabilizing interactions (blue ellipse).

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

Macromolecular Engineering of the Outer Coordination Sphere of [2Fe-2S] Metallopolymers to Enhance Catalytic Activity for H2 Production

2018 ◽  
Vol 7 (11) ◽  
pp. 1383-1387 ◽  
Author(s):  
William P. Brezinski ◽  
Metin Karayilan ◽  
Kayla E. Clary ◽  
Keelee C. McCleary-Petersen ◽  
Liye Fu ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Coordination Sphere ◽  
H2 Production ◽  
Outer Coordination Sphere

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.

Outer Coordination Sphere Proton Relay Base and Proximity Effects on Hydrogen Oxidation with Iron Electrocatalysts

2019 ◽  
Vol 38 (6) ◽  
pp. 1391-1396 ◽  
Author(s):  
Neeraj Kumar ◽  
Jonathan M. Darmon ◽  
Charles J. Weiss ◽  
Monte L. Helm ◽  
Simone Raugei ◽  
...  
Keyword(s):  
Coordination Sphere ◽  
Hydrogen Oxidation ◽  
Proximity Effects ◽  
Proton Relay ◽  
Outer Coordination Sphere
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