Mechanism-led development of catalytic C-H functionalisation
Lead Research Organisation:
Heriot-Watt University
Department Name: Sch of Engineering and Physical Science
Abstract
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Organisations
Publications
Algarra AG
(2014)
Combined experimental and computational investigations of rhodium- and ruthenium-catalyzed C-H functionalization of pyrazoles with alkynes.
in The Journal of organic chemistry
Algarra AG
(2015)
Combined experimental and computational investigations of rhodium-catalysed C - H functionalisation of pyrazoles with alkenes.
in Chemistry (Weinheim an der Bergstrasse, Germany)
Alharis RA
(2019)
Understanding electronic effects on carboxylate-assisted C-H activation at ruthenium: the importance of kinetic and thermodynamic control.
in Faraday discussions
Alharis RA
(2019)
The Importance of Kinetic and Thermodynamic Control when Assessing Mechanisms of Carboxylate-Assisted C-H Activation.
in Journal of the American Chemical Society
Carr K
(2015)
C-H Bond Activation and Catalytic Functionalization I
Davies DL
(2017)
Computational Studies of Carboxylate-Assisted C-H Activation and Functionalization at Group 8-10 Transition Metal Centers.
in Chemical reviews
Davies DL
(2015)
Experimental and DFT Studies Explain Solvent Control of C-H Activation and Product Selectivity in the Rh(III)-Catalyzed Formation of Neutral and Cationic Heterocycles.
in Journal of the American Chemical Society
Johnson HC
(2013)
Dehydrogenative boron homocoupling of an amine-borane.
in Angewandte Chemie (International ed. in English)
Miloserdov F
(2014)
The Challenge of Palladium-Catalyzed Aromatic Azidocarbonylation: From Mechanistic and Catalyst Deactivation Studies to a Highly Efficient Process
in Organometallics
Perrin L
(2015)
Computational Studies in Organometallic Chemistry
| Description | Understanding mechanism of C-H activation at transition metal catalysts |
| Exploitation Route | In designing better metal catalysts |
| Sectors | Chemicals |
| Description | For a series of related substrates the selectivity can change dependent on the reaction conditions. Hence, assigning a reaction mechanism to these types of reaction based on a single set of conditions can lead to erroneous conclusions. |
| Sector | Chemicals |