Kinetic analysis of the phenyl-shift reaction in β-O-4 lignin model compounds: a computational study.

Keywords

Chemistry, Reaction rate constant, Substituent, Ether, Transition state theory

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Cited by

• Ab Initio Screening Approach for the Discovery of Lignin Polymer Breaking Pathways.Brendan D. Mar, Helena W. Qi, Fang Liu — 2015
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• Radical aryl migration reactions and synthetic applications.Zhi‐Min Chen, Xiao‐Ming Zhang, Yong‐Qiang Tu — 2015
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• Role of carbon-carbon phenyl migration in the pyrolysis mechanism of β-O-4 lignin model compounds: phenethyl phenyl ether and α-hydroxy phenethyl phenyl ether.Ariana Beste, A. C. Buchanan — 2012
• Theory studies on pyrolysis mechanism of phenethyl phenyl etherXiaolu Huang, Chao Liu, Jinbao Huang — 2011
• A Mechanistic Investigation of Acid-Catalyzed Cleavage of Aryl-Ether Linkages: Implications for Lignin Depolymerization in Acidic EnvironmentsM.R. Sturgeon, Seonah Kim, Kelsey Lawrence — 2014
• Computational study of bond dissociation enthalpies for substituted β-O-4 lignin model compounds.Jarod M. Younker, Ariana Beste, A. C. Buchanan — 2011
• A detailed chemical kinetic model for pyrolysis of the lignin model compound chromanJames R. Bland, Gabriel da Silva — 2013
• Bond dissociation enthalpies of a pinoresinol lignin model compoundThomas Elder — 2014
• Density functional theory study of the concerted pyrolysis mechanism for lignin modelsThomas Elder, Ariana Beste — 2014
• Kinetic simulation of the thermal degradation of phenethyl phenyl ether, a model compound for the β-O-4 linkage in ligninAriana Beste, A. C. Buchanan — 2012
• Oxidative addition of the Cα-Cβ bond in β-O-4 linkage of lignin to transition metals using a relativistic pseudopotential-based ccCA-ONIOM method.Gbenga A. Oyedepo, Angela K. Wilson — 2011
• ReaxFF study of the oxidation of lignin model compounds for the most common linkages in softwood in view of carbon fiber production.Ariana Beste — 2014
• Theoretical Study of the Remarkably Diverse Linkages in LigninRamakrishnan Parthasarathi, Raymond A. Romero, Antonio Redondo — 2011
• Catalytic cleavage of lignin β-O-4 link mimics using copper on alumina and magnesia–aluminaZea Strassberger, Albert H. Alberts, Manuel J. Louwerse — 2013
• Theoretic studies on decomposition mechanism of o-methoxy phenethyl phenyl ether: Primary and secondary reactionsMeng Wang, Chao Liu — 2016
• Pyrolysis mechanism of βO4 type lignin model dimerLei Chen, Xiaoning Ye, Fei‐Xian Luo — 2015
• Discrimination between Free-Radical and Concerted Pyrolysis MechanismsBrian M. Moreno, Amy L. Quach, Michael N. Merves — 2014
• Bond Dissociation Enthalpies of a Dibenzodioxocin Lignin Model CompoundThomas Elder — 2013

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