The Hitchhiker’s Guide to Flow Chemistry

The Hitchhiker’s Guide to Flow Chemistry

 Plutschack, M. B.; Pieber, B.; Gilmore, K.; Seeberger, P. H.

Max-Planck Institute of Colloids and Interfaces, Potsdam, Germany

Chem. Rev. ASAP
http://pubs.acs.org/doi/pdf/10.1021/acs.chemrev.7b00183

Abstract:

Flow chemistry involves the use of channels or tubing to conduct a reaction in a continuous stream rather than in a flask. Flow equipment provides chemists with unique control over reaction parameters enhancing reactivity or in some cases enabling new reactions. This relatively young technology has received a remarkable amount of attention in the past decade with many reports on what can be done in flow. Until recently, however, the question, “Should we do this in flow?” has merely been an afterthought. This review introduces readers to the basic principles and fundamentals of flow chemistry and critically discusses recent flow chemistry accounts.

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Computational Studies of Carboxylate-Assisted C − H Activation and Functionalization at Group 8 − 10 Transition Metal Centers

Computational Studies of Carboxylate-Assisted C−H Activation and Functionalization at Group 8−10 Transition Metal Centers

 

Davies, D. L.; Macgregor, S. A.; McMullin, C. L. Chem. Rev. ASAP

 

University of Leicester & Heriot-Watt University

http://pubs.acs.org/doi/pdf/10.1021/acs.chemrev.6b00839

Abstract:

 

Computational studies on carboxylate-assisted C−H activation and functionalization at group 8−10 transition metal centers are reviewed. This Review is organized by metal and will cover work published from late 2009 until mid-2016. A brief overview of computational work prior to 2010 is also provided, and this outlines the understanding of carboxylate-assisted C−H activation in terms of the “ambiphilic metal−ligand assistance” (AMLA) and “concerted metalation deprotonation” (CMD) concepts. Computational studies are then surveyed in terms of the nature of the C−H bond being
activated (C(sp2)−H or C(sp3)−H), the nature of the process involved (intramolecular with a directing group or intermolecular), and the context (stoichiometric C−H activation or within a variety of catalytic processes). This Review aims to emphasize the connection between computation and experiment and to highlight the contribution of computational chemistry to our understanding of catalytic C−H functionalization based on carboxylate-
assisted C−H activation. Some opportunities where the interplay between computation and experiment may contribute further to the areas of catalytic C−H functionalization and applied computational chemistry are identified.

 

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