Heteroatom-based diradical (oid) s
Heteroatom-centered diradical (oid) s have been in the focus of molecular main group
chemistry for nearly 30 years. During this time, the diradical concept has evolved and the …
chemistry for nearly 30 years. During this time, the diradical concept has evolved and the …
% V Bur index and steric maps: from predictive catalysis to machine learning
Steric indices are parameters used in chemistry to describe the spatial arrangement of
atoms or groups of atoms in molecules. They are important in determining the reactivity …
atoms or groups of atoms in molecules. They are important in determining the reactivity …
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 …
SambVca 2. A web tool for analyzing catalytic pockets with topographic steric maps
Develo** more efficient catalysts remains one of the primary targets of organometallic
chemists. To accelerate reaching this goal, effective molecular descriptors and visualization …
chemists. To accelerate reaching this goal, effective molecular descriptors and visualization …
Quantifying and understanding the electronic properties of N-heterocyclic carbenes
The use of N-heterocyclic carbenes (NHCs) in chemistry has developed rapidly over the
past twenty years. These interesting compounds are predominantly employed in …
past twenty years. These interesting compounds are predominantly employed in …
Quantifying and understanding the steric properties of N-heterocyclic carbenes
This Feature Article presents and discusses the use of different methods to quantify and
explore the steric impact of N-heterocyclic carbene (NHC) ligands. These include (a) the …
explore the steric impact of N-heterocyclic carbene (NHC) ligands. These include (a) the …
The measure of all rings—N‐heterocyclic carbenes
T Dröge, F Glorius - Angewandte Chemie International Edition, 2010 - Wiley Online Library
Quantification and variation of characteristic properties of different ligand classes is an
exciting and rewarding research field. N‐Heterocyclic carbenes (NHCs) are of special …
exciting and rewarding research field. N‐Heterocyclic carbenes (NHCs) are of special …
What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?
The electronic nature of the interaction of NHCs with metal centres is of interest when
exploring their properties, how these properties influence those of metal complexes, and …
exploring their properties, how these properties influence those of metal complexes, and …
Improved Ruthenium Catalysts for Z-Selective Olefin Metathesis
BK Keitz, K Endo, PR Patel, MB Herbert… - Journal of the …, 2012 - ACS Publications
Several new C–H-activated ruthenium catalysts for Z-selective olefin metathesis have been
synthesized. Both the carboxylate ligand and the aryl group of the N-heterocyclic carbene …
synthesized. Both the carboxylate ligand and the aryl group of the N-heterocyclic carbene …
Comparing the Enantioselective Power of Steric and Electrostatic Effects in Transition‐Metal‐Catalyzed Asymmetric Synthesis
The current approach to improve and tune the enantioselective performances of transition‐
metal catalysts for asymmetric synthesis is mostly focused to modifications of the steric …
metal catalysts for asymmetric synthesis is mostly focused to modifications of the steric …