scholarly journals Titelbild: Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process (Angew. Chem. 45/2020)

2020 ◽  
Vol 132 (45) ◽  
pp. 19893-19893
Author(s):  
Donglong Fu ◽  
Alessandra Lucini Paioni ◽  
Cheng Lian ◽  
Onno Heijden ◽  
Marc Baldus ◽  
...  
Keyword(s):  
Channel Geometry ◽  
Zeolite Channel ◽  
Reaction Intermediate ◽  
Methanol To Hydrocarbon

scholarly journals Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process

2020 ◽  
Vol 132 (45) ◽  
pp. 20199-20205
Author(s):  
Donglong Fu ◽  
Alessandra Lucini Paioni ◽  
Cheng Lian ◽  
Onno Heijden ◽  
Marc Baldus ◽  
...  
Keyword(s):  
Channel Geometry ◽  
Zeolite Channel ◽  
Reaction Intermediate ◽  
Methanol To Hydrocarbon

scholarly journals Elucidating Zeolite Channel Geometry–Reaction Intermediate Relationships for the Methanol‐to‐Hydrocarbon Process

2020 ◽  
Vol 59 (45) ◽  
pp. 20024-20030
Author(s):  
Donglong Fu ◽  
Alessandra Lucini Paioni ◽  
Cheng Lian ◽  
Onno Heijden ◽  
Marc Baldus ◽  
...  
Keyword(s):  
Channel Geometry ◽  
Zeolite Channel ◽  
Reaction Intermediate ◽  
Methanol To Hydrocarbon

Preparation and Characterization of Oxoiron(IV) Chlorin Complexes as the First Models for a Reaction Intermediate in the Catalytic Cycle of Cytochrome d

1994 ◽  
Vol 116 (2) ◽  
pp. 634-641 ◽  
Author(s):  
Shinji Ozawa ◽  
Yoshihito Watanabe ◽  
Satoru Nakashima ◽  
Teizo Kitagawa ◽  
Isao Morishima
Keyword(s):  
Catalytic Cycle ◽  
Reaction Intermediate ◽  
Cytochrome D

Channel Geometry Scaling Effect in Printed Inorganic Electrolyte-Gated Transistors

2021 ◽  
pp. 1-6
Author(s):  
Farhan Rasheed ◽  
Manuel Rommel ◽  
Gabriel Cadilha Marques ◽  
Wolfgang Wenzel ◽  
Mehdi B. Tahoori ◽  
...  
Keyword(s):  
Scaling Effect ◽  
Channel Geometry ◽  
Inorganic Electrolyte

scholarly journals Theoretical insight on the treatment of β-hexachlorocyclohexane waste through alkaline dehydrochlorination

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Alicia Bescós ◽  
Clara I. Herrerías ◽  
Zoel Hormigón ◽  
José Antonio Mayoral ◽  
Luis Salvatella
Keyword(s):  
Density Functional ◽  
Kinetic Studies ◽  
Alkaline Treatment ◽  
Functional Study ◽  
Reaction Intermediates ◽  
Preferential Formation ◽  
Reaction Intermediate ◽  
Rate Determining Step ◽  
Dehydrochlorination Reaction ◽  
Theoretical Results

AbstractThe occurrence of 4.8–7.2 million tons of hexachlorocyclohexane (HCH) isomers stocked in dumpsites around the world constitutes a huge environmental and economical challenge because of their toxicity and persistence. Alkaline treatment of an HCH mixture in a dehydrochlorination reaction is hampered by the low reactivity of the β-HCH isomer (HCl elimination unavoidably occurring through syn H–C–C–Cl arrangements). More intriguingly, the preferential formation of 1,2,4-trichlorobenzene in the β-HCH dehydrochlorination reaction (despite the larger thermodynamical stability of the 1,3,5-isomer) has remained unexplained up to now, though several kinetic studies had been reported. In this paper, we firstly show a detailed Density Functional study on all paths for the hydroxide anion-induced elimination of β-HCH through a three-stage reaction mechanism (involving two types of reaction intermediates). We have now demonstrated that the first reaction intermediate can follow several alternative paths, the preferred route involving abstraction of the most acidic allylic hydrogen which leads to a second reaction intermediate yielding only 1,2,4-trichlorobenzene as the final reaction product. Our theoretical results allow explaining the available experimental data on the β-HCH dehydrochlorination reaction (rate-determining step, regioselectivity, instability of some reaction intermediates).

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