A series of new piano-stool iron(II) complexes comprising monoand bidentate chelating N-heterocyclic carbene ligands [Fe(cp)(CO)(NHC)(L)]X have been prepared and analyzed by spectroscopic, electrochemical, crystallographic, and theoretical methods. Selectively substituting the L site with a series of ligands going from carbene to pyridine to CO suggests that CO is the strongest π acceptor, whil...

Metal carbenes have for a long time been classified as Fischer or Schrock carbenes depending on the oxidation state of the metal. Since the introduction of N-heterocyclic carbene complexes this classification needs to be extended because of the very different electronic character of these ligands. The electronic structure of these different kinds of carbene complexes is analysed and compared to...

N-heterocyclic carbenes have been successfully established as versatile ligands in coordination chemistry, as powerful ancillary ligands in catalysis, as organocatalysts, and for an increasing number of other applications. In view of these applications the ability to vary the steric and electronic character of these ligands systematically, using simple modular synthetic routes, is a central the...

Discovered in 2005, cyclic (alkyl)(amino)carbenes (CAACs) have led to numerous discoveries the field of ruthenium olefin metathesis, until then largely dominated by well-known N-heterocyclic...

The interplay between metals and N-heterocyclic carbenes (NHCs) has provided a window of opportunities for the development of novel catalytic strategies within the past few years. The recent successful combination of Brønsted acids with NHCs has added a new dimension to the field of cooperative catalysis, enabling the stereoselective synthesis of functionalized pyrrolidin-2-ones as valuable sca...

Novel 1,3-dialkylperhydrobenzimidazolinium chloride salts were prepared as precursors of N-heterocyclic carbenes 3a-e by reacting N,N'-dialkylcyclohexandiamine, triethyl orthoformate and ammonium chloride. The salts were characterized spectroscopically and the complexes formed in situ from Pd(OAc)2 and 3 have been tested as catalysts in homogenous Heck and Suzuki reactions.

Abstract: We report the use of polymer N-heterocyclic carbenes (NHCs) to control microenvironment surrounding metal nanocatalysts, thereby enhancing their catalytic performance in CO2 electroreduction. Three NHC ligands were...

C(1)-symmetric isoquinoline-based chiral diaminocarbene ligands (MIQ) have been developed to block three quadrants of the metal coordination sphere, complementing C(2)-symmetric biisoquinoline-based ligands (BIQ). MIQ-Cu complexes catalyzed conjugate borylation of various α,β-unsaturated amides in good yields (82-99%) and enantioselectivities (75-87% ee).

The electronic structures and photophysical properties of eight Pt-complexes with different N-heterocyclic carbene ligands and potential to serve as light emitting diode materials were investigated by density functional theory and time-dependent density functional theory, employing the BP86 functional for geometry optimisations, SAOP potential for excited state calculations and all-electron TZ2...