Concept

Pericyclic reaction

Related publications (241)

Atom-Transfer Radical Addition Reactions Catalyzed by RuCp* Complexes: A Mechanistic Study

Kay Severin, Andrzej Sienkiewicz, Katarzyna Pierzchala, Gregor Kiefer, Katrin Anne Thommes

Kinetic and spectroscopic analyses were performed to gain information about the mechanism of atom-transfer radical reactions catalyzed by the complexes [RuCl2Cp*(PPh3)] and [RuClCp*(PPh3)2] (Cp*=pentamethylcyclopentadienyl), in the presence and in the abse ...

2009

Sandwich mixer–reactor: influence of the diffusion coefficient and flow rate ratios

Hubert Girault, Mélanie Abonnenc

A sandwich mixer consists of mixing two solutions in a channel, one central laminar flow being sandwiched between two outer flow solutions. The present numerical study considers the convection– diffusion of two reacting species A and B, provided respective ...

2009

On the Proton Transfer Mechanism in Ammonia-Bridged 7-Hydroxyquinoline: a First-Principles TDDFT Molecular Dynamics Study

Ursula Röthlisberger, Ivano Tavernelli

We have investigated the mechanism of proton transfer in the lowest photoexcited state of 7-hydroxyquinoline·(NH3)3 using TDDFT based molecular dynamics. We observe a concerted mechanism according to which all protons are transferred simultaneously in a fa ...

2009

Catalytic Formal Homo-Nazarov Cyclization

Jérôme Waser, Julien Alexandre Andres, Filippo De Simone, Riccardo Torosantucci

The first catalytic method for the cyclization of vinyl-cyclopropyl ketones (formal homo-Nazarov reaction) is reported. Starting from activated cyclopropanes, heterocyclic and carbocyclic compounds were obtained under mild conditions using Brønsted acid ca ...

American Chemical Society2009

μic: A new platform for modelling the hydration of cements

Karen Scrivener, Shashank Bishnoi

A new modelling platform, called mu ic has been developed to model the microstructural evolution of hydrating cement paste. The platform uses the vector approach and can be used for modelling particulate reactions including the hydration of many different ...

2009

Microstructured Reactors for Multiphase Reactions: State of the Art

Lioubov Kiwi, Madhvanand Namadeo Kashid

The manufacture of chemicals in microstructured reactors (MSR) has become recently a new branch of chemical reaction engineering focusing on process intensification and safety. MSR have an equivalent hydraulic diameter up to a few hundreds of micrometers a ...

2009

Effect of Lewis acids on the Diels-Alder reaction in ionic liquids with different activation modes

Paul Joseph Dyson, Ana Vidis

The Diels-Alder reaction has been examd. in room temp. ionic liqs. with high molar concns. of Lewis acids under various conditions. A molar ratio of 10% catalyst gave a large increase in the selectivity and the yield of the reaction. The effect of catalyst ...

2008

Empirical Corrections to Density Functional Theory Highlight the Importance of Nonbonded Intramolecular Interactions in Alkanes

Matthew Wodrich, Daniel Filipe Dos Santos Alves Jana

Energies of alkanes computed with many popular and even newer density functionals are flawed by systematic errors, which become considerable with larger molecules. The same energies, however, are well described by post-Hartree-Fock methods. Similar DFT sho ...

2008

Vector modelling of hydrating cement microstructure and kinetics

Shashank Bishnoi

A new modelling framework, called μic, has been developed to enable simulations of complex particulate growths, in particular the microstructural evolution of hydrating cement paste. μic has been developed using the vector approach, which preserves the mul ...

EPFL2008

Suzuki Coupling Reactions in Ether-Functionalized Ionic Liquids: The Importance of Weakly Interacting Cations

Paul Joseph Dyson, Zhaofu Fei, Christian Hartinger, Andrew Douglas Phillips, Yuehui Li, Xuemei Yang

Imidazolium- and pyridinium-based ionic liqs. with ether/polyether substituents have been evaluated as solvents for palladium-catalyzed Suzuki C-C coupling reactions. In general, reactions proceed more efficiently in these solvents compared to other ionic ...

2008

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