Publications related to Thermodynamic versus kinetic reaction control

N-Terminal Selective C-H Azidation of Proline-Containing Peptides: a Platform for Late-Stage Diversification

Jérôme Waser, Raphaël Michel Henri Simonet-Davin, Emmanuelle Madeline Dominique Allouche

A methodology for the C-H azidation of N-terminal proline-containing peptides was developed employing only commercially available reagents. Peptides bearing a broad range of functionalities and containing up to 6 amino acids were selectively azidated at th ...

WILEY-V C H VERLAG GMBH2022

Natural Product Synthesis Enabled by Domino Processes Incorporating a 1,2-Rearrangement Step

Qian Wang, Jieping Zhu, Bastien Delayre

The art of natural product total synthesis is closely associated with two major determinants: the development/application of novel chemical reactions and the innovation in strategic use of classic organic reactions. While purposely seeking/applying a new s ...

2021

The stereodynamics of ion forming reactions

Andreas Osterwalder, Sean Dennis Steven Gordon

Energy transfer reactions occur in all areas of chemistry. One fundamental form of this is demonstrated by reactions in which an electronically excited atom transfers energy to a neutral, resulting in spontaneous ionisation, potentially combined with compl ...

2020

Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation

Berend Smit, Gerald Bauer, Daniele Ongari, Davide Tiana, Mohamed Tarik

Finding heterogeneous catalysts that are superior to homogeneous ones for selective catalytic transformations is a major challenge in catalysis. Here, we show how micropores in metal-organic frameworks (MOFs) push homogeneous catalytic reactions into kinet ...

2020

Crossed Molecular Beams and Theoretical Studies of the O(P-3)+1,2-Butadiene Reaction: Dominant Formation of Propene plus CO and Ethylidene plus Ketene Molecular Channels

Adriana Caracciolo, Silvia Tanteri

Detailed understanding of the mechanism of the combustion relevant multichannel reactions of O(P-3) with unsaturated hydrocarbons (UHs) requires the identification of all primary reaction products, the determination of their branching ratios and assessment ...

CHINESE PHYSICAL SOC2019

Mechanistic implications of lanthanum-modification on gold-catalyzed formic acid decomposition under SCR-relevant conditions

Davide Ferri, Oliver Kröcher

The use of formate-based ammonia precursors as alternatives to urea in the selective catalytic reduction (SCR) process requires that formic acid released upon their thermolysis in the hot exhaust is rapidly decomposed to carbon dioxide. This work aims at t ...

ELSEVIER SCIENCE BV2019

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Jeremy Samuel Arey, Peter Rudolf Tentscher, Daniela Trogolo

Reactions with ozone transform organic and inorganic molecules in water treatment systems as well as in atmospheric chemistry, either in the aqueous phase, at gas/particle interfaces, or in the gas phase. Computed thermokinetic data can be used to estimate ...

AMER CHEMICAL SOC2019

Unexpected Indirect Dynamics in Base-Induced Elimination

Eduardo Carrascosa Casado

Base-induced elimination (E2) and bimolecular nucleophilic substitution (S(N)2) are two of the most versatile reactions that are important in preparative organic chemistry. These stereospecific reactions are often found in direct competition with each othe ...

AMER CHEMICAL SOC2019

Protection Group Effects During α,γ-Diol Lignin Stabilization Promote High-Selectivity Monomer Production

Jeremy Luterbacher, Masoud Talebi Amiri, Christopher Marc Hunston, Wu Lan

Protection groups were introduced during biomass pretreatment to stabilize lignin's α,γ-diol group during its extraction and prevent its condensation. Acetaldehyde and propionaldehyde stabilized the α,γ-diol without any aromatic ring alkylation, which sign ...

2018

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Thermodynamic versus kinetic reaction control

N-Terminal Selective C-H Azidation of Proline-Containing Peptides: a Platform for Late-Stage Diversification

Natural Product Synthesis Enabled by Domino Processes Incorporating a 1,2-Rearrangement Step

The stereodynamics of ion forming reactions

Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation

Crossed Molecular Beams and Theoretical Studies of the O(P-3)+1,2-Butadiene Reaction: Dominant Formation of Propene plus CO and Ethylidene plus Ketene Molecular Channels

Towards comprehensive and consistent kinetic models of metabolism under uncertainty

Mechanistic implications of lanthanum-modification on gold-catalyzed formic acid decomposition under SCR-relevant conditions

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

Unexpected Indirect Dynamics in Base-Induced Elimination

Protection Group Effects During α,γ-Diol Lignin Stabilization Promote High-Selectivity Monomer Production

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Unexpected Indirect Dynamics in Base-Induced Elimination

Natural Product Synthesis Enabled by Domino Processes Incorporating a 1,2-Rearrangement Step

Mechanistic implications of lanthanum-modification on gold-catalyzed formic acid decomposition under SCR-relevant conditions

Gas-Phase Ozone Reactions with a Structurally Diverse Set of Molecules: Barrier Heights and Reaction Energies Evaluated by Coupled Cluster and Density Functional Theory Calculations

The stereodynamics of ion forming reactions

Metal-organic frameworks as kinetic modulators for branched selectivity in hydroformylation

Crossed Molecular Beams and Theoretical Studies of the O(P-3)+1,2-Butadiene Reaction: Dominant Formation of Propene plus CO and Ethylidene plus Ketene Molecular Channels

Towards comprehensive and consistent kinetic models of metabolism under uncertainty

Protection Group Effects During α,γ-Diol Lignin Stabilization Promote High-Selectivity Monomer Production