Computational design of functionalized metal–organic framework nodes for catalysis

V Bernales, MA Ortuño, DG Truhlar… - ACS Central …, 2018 - ACS Publications
Recent progress in the synthesis and characterization of metal–organic frameworks (MOFs)
has opened the door to an increasing number of possible catalytic applications. The great …

[BOOK][B] Handbook of Metathesis, Volume 2: Applications in Organic Synthesis

RH Grubbs, DJ O'Leary - 2015 - books.google.com
The second edition of the" go-to" reference in this field is completely updated and features
more than 80% new content, with emphasis on new developments in the field, especially in …

Recent advancement on the mechanism of olefin metathesis by Grubbs catalysts: A computational perspective

SG Patra, NK Das - Polyhedron, 2021 - Elsevier
The second-generation Grubbs catalyst contains N-heterocyclic carbene (NHC) coordinated
to Ru center. Various such complexes have been employed as catalysts for the olefin …

Key processes in ruthenium-catalysed olefin metathesis

DJ Nelson, S Manzini, CA Urbina-Blanco… - Chemical …, 2014 - pubs.rsc.org
While the fundamental series of [2+ 2] cycloadditions and retro [2+ 2] cycloadditions that
make up the pathways of ruthenium-catalysed metathesis reactions is well-established, the …

Origins of initiation rate differences in ruthenium olefin metathesis catalysts containing chelating benzylidenes

KM Engle, G Lu, SXL Luo, LM Henling… - Journal of the …, 2015 - ACS Publications
A series of second-generation ruthenium olefin metathesis catalysts was investigated using
a combination of reaction kinetics, X-ray crystallography, NMR spectroscopy, and DFT …

A Cocatalyst Strategy to Enhance Ruthenium‐Mediated Metathesis Reactivity towards Electron‐Deficient Substrates

G Si, C Tan, M Chen, C Chen - … Chemie International Edition, 2022 - Wiley Online Library
Ruthenium‐mediated olefin metathesis has been widely applied for the synthesis of various
organic molecules and polymers. Inspired by the cocatalyst strategy for olefin …

Tandem catalysts for polyethylene upcycling: A simple kinetic model

D Guironnet, B Peters - The Journal of Physical Chemistry A, 2020 - ACS Publications
Of all plastics, the most abundantly produced is polyethylene, most of which is destined for
landfills, ship** ports, and natural environments. The limited degradability and …

Rapid Aerial Oxidation of Ruthenium-Dithiocatecholate Catalysts: A Challenge to Stereoretentive Olefin Metathesis

EJY Boisvert, HC Max, DE Fogg - ACS Catalysis, 2023 - ACS Publications
Ruthenium dithiolene complexes, particularly the dithiocatecholates Ru (S2C6H2-3, 6-
Cl2)(NHC)(= CHC6H4-2-O i Pr)(NHC= H2IPr, H2IMes), are an important class of olefin …

Structurally-responsive ligands for high-performance catalysts

JM Blacquiere - ACS Catalysis, 2021 - ACS Publications
Hemilabile ligands that undergo reversible changes in denticity have long been exploited to
enable catalyst activation and to increase lifetime. However, this common description does …

Operation of the boomerang mechanism in olefin metathesis reactions promoted by the second-generation hoveyda catalyst

JM Bates, JAM Lummiss, GA Bailey, DE Fogg - ACS Catalysis, 2014 - ACS Publications
A long-standing question in olefin metathesis centers on whether the “release–
return”(boomerang) mechanism contributes to the productivity of Hoveyda-class catalysts …