Theoretical study on isomerization, decomposition and ring-closure reaction kinetics of methyl pentanoate radicals

2022 ◽  
Vol 237 ◽  
pp. 111848
Author(s):  
Yaozong Duan ◽  
Zhe Ren ◽  
Zhen Huang ◽  
Dong Han
Keyword(s):  
Reaction Kinetics ◽  
Theoretical Study ◽  
Ring Closure ◽  
Kinetics Of

Experimental and Theoretical Study of the Reaction Kinetics of 2,5-Dimethylterephthalonitrile Bromination Compared to 1,4-Dimethylbenzene Bromination

Synthesis ◽  
2018 ◽  
Vol 50 (06) ◽  
pp. 1259-1263
Author(s):  
Cibeli Villalba ◽  
Thiago de C Rozada ◽  
Fábio dos Santos ◽  
Leandro Scorsin ◽  
Jarem Garcia ◽  
...  
Keyword(s):  
Reaction Kinetics ◽  
Theoretical Study ◽  
Theoretical Studies ◽  
Bromination Reaction ◽  
Kinetics Of ◽  
Experimental And Theoretical Studies

Experimental and theoretical studies showed the differences observed in the benzylic tetrabromination reactions in 2,5-dimethylterephthalonitrile compared to 1,4-dimethylbenzene. It was observed that the compound containing the nitrile substituent underwent a slower bromination reaction, with the formation of four intermediate compounds, while for the compound without substituents, the reaction was faster and only two intermediate compounds were observed.

The atmospheric oxidation mechanism and kinetics of 1,3,5-trimethylbenzene initiated by OH radicals – a theoretical study

2017 ◽  
Vol 41 (18) ◽  
pp. 10259-10271 ◽  
Author(s):  
S. Ponnusamy ◽  
L. Sandhiya ◽  
K. Senthilkumar
Keyword(s):  
Theoretical Study ◽  
Oxidation Mechanism ◽  
Peroxy Radical ◽  
Ring Closure ◽  
Oh Radicals ◽  
Oh Radical ◽  
Radical Ring ◽  
Atmospheric Fate ◽  
Mechanism And Kinetics ◽  
Kinetics Of

The atmospheric fate of 1,3,5-trimethylbenzene is determined by OH-radical addition, and subsequent bicyclic peroxy radical ring closure and ring breaking pathways.

Theoretical Study of the Reaction Kinetics of Atomic Bromine with Tetrahydropyran

2015 ◽  
Vol 119 (6) ◽  
pp. 933-942 ◽  
Author(s):  
Binod Raj Giri ◽  
John M. H. Lo ◽  
John M. Roscoe ◽  
Awad B. S. Alquaity ◽  
Aamir Farooq
Keyword(s):  
Reaction Kinetics ◽  
Theoretical Study ◽  
Kinetics Of

Impact Of Synthesis Route on the Water Oxidation Kinetics of Hematite Photoanodes

2020 ◽  
Author(s):  
Camilo A. Mesa ◽  
Ludmilla Steier ◽  
Benjamin Moss ◽  
Laia Francàs ◽  
James E. Thorne ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Reaction Kinetics ◽  
Water Oxidation ◽  
Oxidation Kinetics ◽  
Oxidation Reaction ◽  
Charge Accumulation ◽  
Optical Signals ◽  
Current Voltage ◽  
Voltage Performance ◽  
Kinetics Of

<p><i>Operando</i> spectroelectrochemical analysis is used to determine the water oxidation reaction kinetics for hematite photoanodes prepared using four different synthetic procedures. Whilst these photoanodes exhibit very different current / voltage performance, their underlying water oxidation kinetics are found to be almost invariant. Lower photoanode performance was found to correlate with the observation of optical signals indicative of charge accumulation in mid-gap oxygen vacancy states, indicating these states do not contribute directly to water oxidation.</p>

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