Heteroatom-based diradical (oid) s

A Hinz, J Bresien, F Breher, A Schulz - Chemical Reviews, 2023 - ACS Publications
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 …

% V Bur index and steric maps: from predictive catalysis to machine learning

S Escayola, N Bahri-Laleh, A Poater - Chemical Society Reviews, 2024 - pubs.rsc.org
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 …

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 …

SambVca 2. A web tool for analyzing catalytic pockets with topographic steric maps

L Falivene, R Credendino, A Poater, A Petta… - …, 2016 - ACS Publications
Develo** more efficient catalysts remains one of the primary targets of organometallic
chemists. To accelerate reaching this goal, effective molecular descriptors and visualization …

Quantifying and understanding the electronic properties of N-heterocyclic carbenes

DJ Nelson, SP Nolan - Chemical Society Reviews, 2013 - pubs.rsc.org
The use of N-heterocyclic carbenes (NHCs) in chemistry has developed rapidly over the
past twenty years. These interesting compounds are predominantly employed in …

Quantifying and understanding the steric properties of N-heterocyclic carbenes

A Gómez-Suárez, DJ Nelson, SP Nolan - Chemical Communications, 2017 - pubs.rsc.org
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 …

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 …

What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

SVC Vummaleti, DJ Nelson, A Poater… - Chemical …, 2015 - pubs.rsc.org
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 …

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 …

Comparing the Enantioselective Power of Steric and Electrostatic Effects in Transition‐Metal‐Catalyzed Asymmetric Synthesis

A Poater, F Ragone, R Mariz, R Dorta… - … –A European Journal, 2010 - Wiley Online Library
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 …