% 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 …

C− H functionalisation for hydrogen isotope exchange

J Atzrodt, V Derdau, WJ Kerr… - Angewandte Chemie …, 2018‏ - Wiley Online Library
The various applications of hydrogen isotopes (deuterium, D, and tritium, T) in the physical
and life sciences demand a range of methods for their installation in an array of molecular …

Advances in the Synthesis and Applications of N-Heterocyclic Carbene Metal Complexes with a Focus on the Weak Base Route

T Scattolin, AA Logvinov, NV Tzouras, CSJ Cazin… - …, 2023‏ - ACS Publications
N-heterocyclic carbene (NHC) ligands have evolved from being simple lab curiosities to
tertiary phosphine mimics to finally take center stage as unique supporting ligands in …

N-heterocyclic carbenes in late transition metal catalysis

S Diez-Gonzalez, N Marion, SP Nolan - Chemical Reviews, 2009‏ - ACS Publications
N-Heterocyclic carbenes (NHCs) are cyclic carbenes bearing at least one R-amino
substituent. 1 The most common subclasses of NHCs are represented in Chart 1. Early work …

Percent buried volume for phosphine and N-heterocyclic carbene ligands: steric properties in organometallic chemistry

H Clavier, SP Nolan - Chemical communications, 2010‏ - pubs.rsc.org
Electronic and steric ligand effects both play major roles in organometallic chemistry and
consequently in metal-mediated catalysis. Quantifying such parameters is of interest to …

N‐heterocyclic carbenes: a new concept in organometallic catalysis

WA Herrmann - Angewandte Chemie International Edition, 2002‏ - Wiley Online Library
N‐Heterocyclic carbenes have become universal ligands in organometallic and inorganic
coordination chemistry. They not only bind to any transition metal, be it in low or high …

Stability and reactivity of N-heterocyclic carbene complexes

CM Crudden, DP Allen - Coordination chemistry reviews, 2004‏ - Elsevier
The use of N-heterocyclic carbenes as ligands for transition metals has increased
dramatically in the last few years, spurred on by their remarkable successes in the areas of …

SambVca: A Web Application for the Calculation of the Buried Volume of N‐Heterocyclic Carbene Ligands

A Poater, B Cosenza, A Correa, S Giudice, F Ragone… - 2009‏ - Wiley Online Library
We present a free web application for the calculation of the buried volume (% VBur) of NHC
ligands. The web application provides a graphic and user‐friendly interface to the SambVca …

Understanding the M (NHC)(NHC= N-heterocyclic carbene) bond

H Jacobsen, A Correa, A Poater, C Costabile… - Coordination Chemistry …, 2009‏ - Elsevier
N-heterocyclic carbenes (NHC) is a well established class of new ligands in organometallic
chemistry. Their use as ligands in many reactions catalyzed by transition metal complexes …

N-heterocyclic carbene transition metal complexes for catalysis in aqueous media

HD Velazquez, F Verpoort - Chemical Society Reviews, 2012‏ - pubs.rsc.org
The last decade has seen an increasing number of reports on the use of NHC–metal
complexes for catalysis in water, therefore this review is aimed to introduce the whole …