Applied hydroformylation
R Franke, D Selent, A Börner - Chemical reviews, 2012 - ACS Publications
Hydroformylation is the addition of synthesis gas (“syngas”), a mixture of CO and H2, to
olefins in the presence of a catalyst under the formation of aldehydes. Hydrogen (“hydro”) …
olefins in the presence of a catalyst under the formation of aldehydes. Hydrogen (“hydro”) …
Computational ligand descriptors for catalyst design
DJ Durand, N Fey - Chemical reviews, 2019 - ACS Publications
Ligands, especially phosphines and carbenes, can play a key role in modifying and
controlling homogeneous organometallic catalysts, and they often provide a convenient …
controlling homogeneous organometallic catalysts, and they often provide a convenient …
Data-driven multi-objective optimization tactics for catalytic asymmetric reactions using bisphosphine ligands
Optimization of the catalyst structure to simultaneously improve multiple reaction objectives
(eg, yield, enantioselectivity, and regioselectivity) remains a formidable challenge. Herein …
(eg, yield, enantioselectivity, and regioselectivity) remains a formidable challenge. Herein …
[BOOK][B] Rhodium catalyzed hydroformylation
PWNM Van Leeuwen, C Claver - 2002 - books.google.com
In the last decade there have been numerous advances in the area of rhodium-catalyzed
hydroformylation, such as highly selective catalysts of industrial importance, new insights …
hydroformylation, such as highly selective catalysts of industrial importance, new insights …
Building a toolbox for the analysis and prediction of ligand and catalyst effects in organometallic catalysis
DJ Durand, N Fey - Accounts of Chemical Research, 2021 - ACS Publications
Conspectus Computers have become closely involved with most aspects of modern life, and
these developments are tracked in the chemical sciences. Recent years have seen the …
these developments are tracked in the chemical sciences. Recent years have seen the …
Quantum-mechanical transition-state model combined with machine learning provides catalyst design features for selective Cr olefin oligomerization
The use of data science tools to provide the emergence of non-trivial chemical features for
catalyst design is an important goal in catalysis science. Additionally, there is currently no …
catalyst design is an important goal in catalysis science. Additionally, there is currently no …
Hybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation
This review aims to illustrate recent advances in the application of hybrid diphosphorus
ligands for the Rh catalysed hydroformylation of alkenes, discussing the most prevalent …
ligands for the Rh catalysed hydroformylation of alkenes, discussing the most prevalent …
Ligand-Based Principal Component Analysis Followed by Ridge Regression: Application to an Asymmetric Negishi Reaction
In this study, we introduce an approach for predicting the enantioselectivity of P-chiral
monophosphorus ligands from ligand-based descriptors that can be applied to catalytic …
monophosphorus ligands from ligand-based descriptors that can be applied to catalytic …
Understanding Rh‐catalysed Hydroformylation with Phosphite Ligands through Catalyst Speciation Analysis by Operando FlowNMR Spectroscopy
A Bara‐Estaún, CL Lyall, JP Lowe, PG Pringle… - …, 2023 - Wiley Online Library
Phosphites are industrially important ligands for the Rh‐catalysed hydroformylation of
olefins because they produce more active catalysts than phosphines, which is mainly due to …
olefins because they produce more active catalysts than phosphines, which is mainly due to …
Expansion of the ligand knowledge base for chelating P, P-donor ligands (LKB-PP)
We have expanded the ligand knowledge base for bidentate P, P-and P, N-donor ligands
(LKB-PP, Organometallics 2008, 27, 1372–1383) by 208 ligands and introduced an …
(LKB-PP, Organometallics 2008, 27, 1372–1383) by 208 ligands and introduced an …