Blar i Bergen Open Research Archive på tidsskrift "ACS Catalysis"
Viser treff 1-4 av 4
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Automated in Silico Design of Homogeneous Catalysts
(Peer reviewed; Journal article, 2020)Catalyst discovery is increasingly relying on computational chemistry, and many of the computational tools are currently being automated. The state of this automation and the degree to which it may contribute to speeding ... -
Challenging Metathesis Catalysts with Nucleophiles and Brønsted Base: Examining the Stability of State-of-the-Art Ruthenium Carbene Catalysts to Attack by Amines
(Journal article; Peer reviewed, 2020)Critical to advancing the uptake of olefin metathesis in leadingcontexts, including pharmaceutical manufacturing, is identification of highlyactive catalysts that resist decomposition. Amines constitute an aggressivechallenge ... -
Ethylene-Triggered Formation of Ruthenium Alkylidene from Decomposed Catalyst
(Journal article; Peer reviewed, 2020)Ethylene is known to readily decompose ruthenium-based olefin metathesis catalysts, such as Grubbs second-generation catalyst (GII), by forming the unsubstituted ruthenacyclobutane (Ru-2) that may undergo a 1,2-H shift and ... -
The Impact of Water on Ru-Catalyzed Olefin Metathesis: Potent Deactivating Effects Even at Low Water Concentrations
(Journal article; Peer reviewed, 2021)Ruthenium catalysts for olefin metathesis are widely viewed as water-tolerant. Evidence is presented, however, that even low concentrations of water cause catalyst decomposition, severely degrading yields. Of 11 catalysts ...