The role of electronic effects in determining the thermodynamic stabilities of olefin complexes of palladium(II) and platinum(II)

1973 ◽  
pp. 591 ◽  
Author(s):  
Eva M. Ban ◽  
Russell P. Hughes ◽  
John Powell
Keyword(s):  
Electronic Effects

A β-cyclodextrin–resveratrol inclusion complex and the role of geometrical and electronic effects on its electronic induced circular dichroism

RSC Advances ◽  
2013 ◽  
Vol 3 (26) ◽  
pp. 10242 ◽  
Author(s):  
Eduardo Troche-Pesqueira ◽  
Ignacio Pérez-Juste ◽  
Armando Navarro-Vázquez ◽  
María Magdalena Cid
Keyword(s):  
Circular Dichroism ◽  
Inclusion Complex ◽  
Induced Circular Dichroism ◽  
Electronic Effects ◽  
Circular Dichroïsm

Electrophilic additions to allenes. VI. The role of steric versus electronic effects in the reactions of arenesulphenyl halides with allenes

1980 ◽  
Vol 58 (24) ◽  
pp. 2737-2744 ◽  
Author(s):  
Dennis G. Garrattz ◽  
Pierre L. Beaulieu
Keyword(s):  
Positive Charge ◽  
Steric Effects ◽  
Rate Data ◽  
Electronic Effects ◽  
Rate Determining Step ◽  
Minimal Importance ◽  
Electrophilic Additions

The role of steric and electronic effects during the rate and product determining steps for the addition of arenesulphenyl chlorides to 1,3-disubstituted allenes has been briefly examined. Both effects appear to be generally of minimal importance during the rate determining step. The available rate data indicate the presence of little, if any, build up of positive charge on sulphur. These results are interpreted in terms of an SN2 attack on bivalent sulphur leading to an alkylidenethiiranium ion intermediate. Steric effects are of greater importance in the product determining step, particularly when the sulphenyl chlorides possess two bulky ortho substituents, as in the case of 2,4,6-triisopropylbenzenesulphenyl chloride.

scholarly journals Fe-Doping in Double Perovskite PrBaCo2(1-x)Fe2xO6-δ: Insights into Structural and Electronic Effects to Enhance Oxygen Evolution Catalyst Stability

Catalysts ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 263 ◽  
Author(s):  
Bae-Jung Kim ◽  
Emiliana Fabbri ◽  
Ivano Castelli ◽  
Mario Borlaf ◽  
Thomas Graule ◽  
...  
Keyword(s):  
Oxygen Evolution ◽  
Oxygen Evolution Reaction ◽  
Double Perovskite ◽  
Alkaline Media ◽  
Catalyst Stability ◽  
Electronic Effects ◽  
Single Transition ◽  
Charge Stability ◽  
X Ray Absorption

Perovskite oxides have been gaining attention for its capability to be designed as an ideal electrocatalyst for oxygen evolution reaction (OER). Among promising candidates, the layered double perovskite—PrBaCo2O6-δ (PBC)—has been identified as the most active perovskite electrocatalyst for OER in alkaline media. For a single transition metal oxide catalyst, the addition of Fe enhances its electrocatalytic performance towards OER. To understand the role of Fe, herein, Fe is incorporated in PBC in different ratios, which yielded PrBaCo2(1-x)Fe2xCo6-δ (x = 0, 0.2 and 0.5). Fe-doped PBCF’s demonstrate enhanced OER activities and stabilities. Operando X-ray absorption spectroscopy (XAS) revealed that Co is more stable in a lower oxidation state upon Fe incorporation by establishing charge stability. Hence, the degradation of Co is inhibited such that the perovskite structure is prolonged under the OER conditions, which allows it to serve as a platform for the oxy(hydroxide) layer formation. Overall, our findings underline synergetic effects of incorporating Fe into Co-based layered double perovskite in achieving a higher activity and stability during oxygen evolution reaction.

Incorporating Amino Acid Esters into Catalysts for Hydrogen Oxidation: Steric and Electronic Effects and the Role of Water as a Base

2012 ◽  
Vol 31 (19) ◽  
pp. 6719-6731 ◽  
Author(s):  
Sheri Lense ◽  
Ming-Hsun Ho ◽  
Shentan Chen ◽  
Avijita Jain ◽  
Simone Raugei ◽  
...  
Keyword(s):  
Amino Acid ◽  
Hydrogen Oxidation ◽  
Amino Acid Esters ◽  
Electronic Effects ◽  
Acid Esters

scholarly journals Can Electric Fields Drive Chemistry for an Aqueous Microdroplet?

2021 ◽  
Author(s):  
Hongxia Hao ◽  
Itai Leven ◽  
Teresa Head-Gordon
Keyword(s):  
Electric Field ◽  
Electric Fields ◽  
Water Droplet ◽  
Reaction Rates ◽  
Surface Reactivity ◽  
Bulk Solution ◽  
Excess Charge ◽  
Electronic Effects ◽  
Rate Acceleration

Abstract Reaction rates of common organic reactions have been reported to increase by one to six orders of magnitude in aqueous microdroplets compared to bulk solution, but the reasons for the rate acceleration are poorly understood. We investigate the role of electric fields at water droplet surfaces that might explain the promotion of unusual reactive chemistry, along with changes in electric field profiles as a function of excess charge to model the electrospray fragmentation process. We find that electric field alignments along free O-H bonds at the surface yield field strength distributions that are ~30 MV/cm larger on average than that found for O-H bonds in the interior of the water droplet, consistent with greater surface reactivity. We emphasize the importance of both nuclear and electronic effects at the surface, and the non-linear coupling of intramolecular solute polarization with intermolecular solvent modes, as a necessary feature for predicting the higher field strengths at water droplet surfaces.

scholarly journals Understanding the Role of Electronic Effects in CO on the Pt–Sn Alloy Surface via Band Structure Measurements

ACS Catalysis ◽  
2021 ◽  
pp. 219-225
Author(s):  
Jongkeun Jung ◽  
Sungwoo Kang ◽  
Laurent Nicolaï ◽  
Jisook Hong ◽  
Ján Minár ◽  
...  
Keyword(s):  
Band Structure ◽  
Alloy Surface ◽  
Electronic Effects
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