Literature DB >> 21483970

What is the initiation step of the Grubbs-Hoveyda olefin metathesis catalyst?

Ian W Ashworth1, Ian H Hillier, David J Nelson, Jonathan M Percy, Mark A Vincent.   

Abstract

Density function theory calculations reveal that the Grubbs-Hoveyda olefin metathesis pre-catalyst is activated by the formation of a complex in which the incoming alkene substrate and outgoing alkoxy ligand are both clearly associated with the ruthenium centre. The computed energies for reaction are in good agreement with the experimental values, reported here. © The Royal Society of Chemistry 2011

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Year:  2011        PMID： 21483970     DOI： 10.1039/c1cc11230a

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  6 in total

1.  Formation of active species from ruthenium alkylidene catalysts-an insight from computational perspective.

Authors:  Paweł Śliwa; Mariusz P Mitoraj; Filip Sagan; Jarosław Handzlik
Journal:  J Mol Model       Date:  2019-11-07       Impact factor: 1.810

2.  Computation and experiment reveal that the ring-rearrangement metathesis of Himbert cycloadducts can be subject to kinetic or thermodynamic control.

Authors:  Jonathan K Lam; Hung V Pham; K N Houk; Christopher D Vanderwal
Journal:  J Am Chem Soc       Date:  2013-11-06       Impact factor: 15.419

3.  Improved ruthenium catalysts for Z-selective olefin metathesis.

Authors:  Benjamin K Keitz; Koji Endo; Paresma R Patel; Myles B Herbert; Robert H Grubbs
Journal:  J Am Chem Soc       Date:  2011-12-09       Impact factor: 15.419

4.  Toward a simulation approach for alkene ring-closing metathesis: scope and limitations of a model for RCM.

Authors:  David J Nelson; Davide Carboni; Ian W Ashworth; Jonathan M Percy
Journal:  J Org Chem       Date:  2011-09-27       Impact factor: 4.354

5.  Olefin Metathesis Catalyzed by a Hoveyda-Grubbs-like Complex Chelated to Bis(2-mercaptoimidazolyl) Methane: A Predictive DFT Study.

Authors:  J Pablo Martínez; Bartosz Trzaskowski
Journal:  J Phys Chem A       Date:  2022-01-26       Impact factor: 2.781

6.  Development of a method for the preparation of ruthenium indenylidene-ether olefin metathesis catalysts.

Authors:  Leonel R Jimenez; Daniel R Tolentino; Benjamin J Gallon; Yann Schrodi
Journal:  Molecules       Date:  2012-05-11       Impact factor: 4.411
  6 in total

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