Modern Organometallic Multidentate Ligand Design Strategies: The Birth of the Privileged “Pincer” Ligand Platform

2015 ◽  
pp. 1-15 ◽  
Author(s):  
Preston A. Chase ◽  
Robert A. Gossage ◽  
Gerard van Koten
Keyword(s):  
Ligand Design ◽  
Design Strategies ◽  
Pincer Ligand ◽  
Multidentate Ligand

Lowering the Barrier to C–H Activation at IrIII through Pincer Ligand Design

2021 ◽  
Author(s):  
Sophie B. Rubashkin ◽  
Wan-Yi Chu ◽  
Karen I. Goldberg
Keyword(s):  
Ligand Design ◽  
Pincer Ligand

Key factors in pincer ligand design

2018 ◽  
Vol 47 (6) ◽  
pp. 1959-1968 ◽  
Author(s):  
Eduardo Peris ◽  
Robert H. Crabtree
Keyword(s):  
Ligand Design ◽  
Pincer Ligands ◽  
Key Factors ◽  
Pincer Ligand

This tutorial review analyses the reasons of success of pincer ligands.

scholarly journals Coordination sphere hydrogen bonding as a structural element in metal–organic Frameworks

2021 ◽  
Author(s):  
Chris S. Hawes
Keyword(s):  
Hydrogen Bonding ◽  
Coordination Sphere ◽  
Coordination Polymers ◽  
Metal Organic Frameworks ◽  
Ligand Design ◽  
Design Strategies ◽  
Structural Element ◽  
Metal Organic

Coordination sphere hydrogen bonding in coordination polymers and metal–organic frameworks (MOFs) is examined as a structurally and chemically stabilising influence, accessible through ligand design strategies.

Probing ligand design strategies for the activation of metal-oxo oxidants via a ligand centered oxidation process

1995 ◽  
Vol 59 (2-3) ◽  
pp. 317
Author(s):  
S.W. Gordon-Wylie ◽  
T.J. Collins ◽  
C.P. Horwitz ◽  
B.L. Claus ◽  
Y. Leychkis ◽  
...  
Keyword(s):  
Oxidation Process ◽  
Ligand Design ◽  
Design Strategies

Effect of Hydrated Metal Salts on the Coordination Product of Cobalt(II) halide and PNP Type Ligand, 2,6-bis(di-tertbutylphosphinomethyl) pyridine

2018 ◽  
Author(s):  
Tasneem Siddiquee ◽  
Abdul Goni
Keyword(s):  
Metal Salts ◽  
Molar Ratio ◽  
Pincer Complexes ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Pincer Ligand ◽  
Tetrahedral Geometry ◽  
X Ray ◽  
Distorted Tetrahedral Geometry ◽  
Cobalt Center

Chemical treatment of CoX<sub>2</sub><b><sup>. </sup></b>6H<sub>2</sub>O (X = Cl, Br, I) with the potentially tridentate PNP pincer ligand 2,6-bis(di-<i>tert</i>-butylphosphinomethyl)pyridine in 1:1 molar ratio results in cobalt(II) halide-PNP pincer complexes. The effect of the hydrated metal source on molecular structure and geometry of the complexes was studied by single crystal X-ray diffraction analysis. The complexes are neutral and the cobalt center adopts a penta-coordinate system with potential atropisomerization. Within the unit cell there are two distinct molecules per asymmetric unit. One of the two phosphorus atoms in the PNP ligand was observed to be partially oxidized to phosphinoxide. Disorder in the structure reflects a mixture of square pyramidal and distorted tetrahedral geometry.

Towards a Design of Active Oxygen Evolution Catalysts: Insights from Automated Density Functional Theory Calculations and Machine Learning

2019 ◽  
Author(s):  
Seoin Back ◽  
Kevin Tran ◽  
Zachary Ulissi
Keyword(s):  
Machine Learning ◽  
Oxygen Evolution ◽  
Active Sites ◽  
Density Functional ◽  
Chemical Space ◽  
Density Functional Theory Calculations ◽  
Catalyst Design ◽  
Transition Metal Catalysts ◽  
Oxide Materials ◽  
Design Strategies

<div> <div> <div> <div><p>Developing active and stable oxygen evolution catalysts is a key to enabling various future energy technologies and the state-of-the-art catalyst is Ir-containing oxide materials. Understanding oxygen chemistry on oxide materials is significantly more complicated than studying transition metal catalysts for two reasons: the most stable surface coverage under reaction conditions is extremely important but difficult to understand without many detailed calculations, and there are many possible active sites and configurations on O* or OH* covered surfaces. We have developed an automated and high-throughput approach to solve this problem and predict OER overpotentials for arbitrary oxide surfaces. We demonstrate this for a number of previously-unstudied IrO2 and IrO3 polymorphs and their facets. We discovered that low index surfaces of IrO2 other than rutile (110) are more active than the most stable rutile (110), and we identified promising active sites of IrO2 and IrO3 that outperform rutile (110) by 0.2 V in theoretical overpotential. Based on findings from DFT calculations, we pro- vide catalyst design strategies to improve catalytic activity of Ir based catalysts and demonstrate a machine learning model capable of predicting surface coverages and site activity. This work highlights the importance of investigating unexplored chemical space to design promising catalysts.<br></p></div></div></div></div><div><div><div> </div> </div> </div>

The Dynamics of Daylighting at a Residential College Building with the Internal Courtyard Arrangement

2015 ◽  
Vol 9 (3) ◽  
pp. 148
Author(s):  
Adi Ainurzaman Jamaludin ◽  
Hazreena Hussein ◽  
Nila Keumala ◽  
Ati Rosemary Mohd Ariffin
Keyword(s):  
Field Measurement ◽  
Mean Value ◽  
Design Strategies ◽  
Residential College ◽  
Bioclimatic Design ◽  
Living Space ◽  
Entrance Door ◽  
Wall Openings

Dayasari residential college building was designed with the internal courtyard that allows for numerous implementations of bioclimatic design strategies, especially on daylighting. The field measurement was conducted at eight unoccupied student rooms, selected as samples to represent ten scenarios and orientations that concerned with the level of radiation and penetration of sunlight. This study reveals the contribution of the internal courtyard in the residential college which allows the daylight penetration at the corridor areas and interior of the rooms through the transom over the entrance door, up to ten hours daily. Different amounts of daylight were measured in specific room scenarios to suggest on the most comfortable indoor living space. The recorded mean value for indoor varied from 37 to 286 lux, while in the corridor area 192 to 3,848 lux. However, the use of the large overhangs over the windows, wall openings in the room and trees with large canopy in the landscape setting should critically justify when the adequacy of daylight was drastically reduced in certain rooms.    

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