scholarly journals Through‐Space Electrostatic Interactions Surpass Classical Through‐Bond Electronic Effects in Enhancing CO2 Reduction Performance of Iron Porphyrins

ChemSusChem ◽  
2021 ◽  
Author(s):  
Ally Aukauloo ◽  
Asma Khadhraoui ◽  
Philipp Gotico ◽  
Winfried Leibl ◽  
Zakaria Halime
Keyword(s):  
Electrostatic Interactions ◽  
Co2 Reduction ◽  
Electronic Effects ◽  
Iron Porphyrins

Frontispiece: Judicious Ligand Design in Ruthenium Polypyridyl CO2 Reduction Catalysts to Enhance Reactivity by Steric and Electronic Effects

2016 ◽  
Vol 22 (42) ◽  
Author(s):  
Ben A. Johnson ◽  
Hemlata Agarwala ◽  
Travis A. White ◽  
Edgar Mijangos ◽  
Somnath Maji ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Ligand Design ◽  
Electronic Effects ◽  
Ruthenium Polypyridyl ◽  
Reduction Catalysts

scholarly journals Positional effects of second-sphere amide pendants on electrochemical CO2 reduction catalyzed by iron porphyrins

2018 ◽  
Vol 9 (11) ◽  
pp. 2952-2960 ◽  
Author(s):  
Eva M. Nichols ◽  
Jeffrey S. Derrick ◽  
Sepand K. Nistanaki ◽  
Peter T. Smith ◽  
Christopher J. Chang
Keyword(s):  
Carbon Dioxide ◽  
Greenhouse Gas ◽  
Electrochemical Reduction ◽  
Energy Input ◽  
Sustainable Energy ◽  
Co2 Reduction ◽  
Value Added ◽  
Iron Porphyrins ◽  
Electrochemical Co2 Reduction ◽  
Positional Effects

The development of catalysts for electrochemical reduction of carbon dioxide offers an attractive approach to transforming this greenhouse gas into value-added carbon products with sustainable energy input.

scholarly journals Iron Porphyrins Embedded into a Supramolecular Porous Organic Cage for Electrochemical CO2 Reduction in Water

2018 ◽  
Vol 57 (31) ◽  
pp. 9684-9688 ◽  
Author(s):  
Peter T. Smith ◽  
Bahiru Punja Benke ◽  
Zhi Cao ◽  
Younghoon Kim ◽  
Eva M. Nichols ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Iron Porphyrins ◽  
Electrochemical Co2 Reduction

Phosphorane lifetime and stereo-electronic effects along the alkaline hydrolysis of phosphate esters

2016 ◽  
Vol 18 (27) ◽  
pp. 18255-18267 ◽  
Author(s):  
Eufrásia S. Pereira ◽  
Júlio C. S. Da Silva ◽  
Tiago A. S. Brandão ◽  
Willian R. Rocha
Keyword(s):  
Molecular Dynamics ◽  
Aqueous Solution ◽  
Alkaline Hydrolysis ◽  
Electrostatic Interactions ◽  
Phosphate Esters ◽  
Electronic Effects ◽  
Important Intermediate ◽  
Dynamics Simulations ◽  
Phosphate Diesters ◽  
Hydrolysis Of

Ab initio molecular dynamics simulations revealed that phosphorane, an important intermediate in the hydrolysis of phosphate diesters, has a lifetime of ∼1 ps in aqueous solution. QTAIM and EDA analyses along the reaction coordinate show that the hydrolysis reaction of phosphate esters is driven mainly by electrostatic interactions.

Synergistic Chemisorbing and Electronic Effects for Efficient CO2 Reduction Using Cysteamine-Functionalized Gold Nanoparticles

2018 ◽  
Vol 2 (1) ◽  
pp. 192-195 ◽  
Author(s):  
Zhijiang Wang ◽  
Kun Sun ◽  
Caiyun Liang ◽  
Lina Wu ◽  
Zhuangzhuang Niu ◽  
...  
Keyword(s):  
Gold Nanoparticles ◽  
Co2 Reduction ◽  
Electronic Effects ◽  
Functionalized Gold Nanoparticles

scholarly journals Iron Porphyrins Embedded into a Supramolecular Porous Organic Cage for Electrochemical CO2 Reduction in Water

2018 ◽  
Vol 130 (31) ◽  
pp. 9832-9836 ◽  
Author(s):  
Peter T. Smith ◽  
Bahiru Punja Benke ◽  
Zhi Cao ◽  
Younghoon Kim ◽  
Eva M. Nichols ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Iron Porphyrins ◽  
Electrochemical Co2 Reduction

Construction of secondary coordination sphere boosts electrochemical CO2 reduction of iron porphyrins

2020 ◽  
Vol 24 (01n03) ◽  
pp. 465-472 ◽  
Author(s):  
Guiyu Liu ◽  
Ying-Jie Fan ◽  
Jun-Long Zhang
Keyword(s):  
Phenyl Ring ◽  
Co2 Reduction ◽  
Ortho Position ◽  
Iron Porphyrins ◽  
Reduction Of Iron ◽  
Electrochemical Co2 Reduction ◽  
Secondary Coordination Sphere ◽  
Turn Over Frequency ◽  
Turn Over ◽  
Lower Overpotential

Iron porphyrins with simple aminophenyl substitution are synthesized and their electrochemical CO[Formula: see text] reduction properties are studied. Fe-1, bearing an amino group in the ortho position of the phenyl ring exhibits an improved catalytic turn over frequency (TOF), lower overpotential and higher selectivity, compared with para-amino-substituted iron porphyrin (Fe-2) and the control iron tetraphenylporphyrin (Fe-3). DFT calculations also support the importance of hydrogen bonds on the reactivity of Fe-1, which facilitates the formation [Fe–CO[Formula: see text]][Formula: see text] adduct by lowering 1.45 kcal mol[Formula: see text].

scholarly journals Electronic Effects Determine the Selectivity of Planar Au–Cu Bimetallic Thin Films for Electrochemical CO2 Reduction

2019 ◽  
Vol 11 (18) ◽  
pp. 16546-16555 ◽  
Author(s):  
Kai Liu ◽  
Ming Ma ◽  
Longfei Wu ◽  
Marco Valenti ◽  
Drialys Cardenas-Morcoso ◽  
...  
Keyword(s):  
Thin Films ◽  
Co2 Reduction ◽  
Electronic Effects ◽  
Electrochemical Co2 Reduction

Judicious Ligand Design in Ruthenium Polypyridyl CO2 Reduction Catalysts to Enhance Reactivity by Steric and Electronic Effects

2016 ◽  
Vol 22 (42) ◽  
pp. 14870-14880 ◽  
Author(s):  
Ben A. Johnson ◽  
Hemlata Agarwala ◽  
Travis A. White ◽  
Edgar Mijangos ◽  
Somnath Maji ◽  
...  
Keyword(s):  
Co2 Reduction ◽  
Ligand Design ◽  
Electronic Effects ◽  
Ruthenium Polypyridyl ◽  
Reduction Catalysts
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