AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6 integrally gilded cages.

AuICl-bound N-heterocyclic carbene ligands form MII4(LAuCl)6 integrally gilded cages† †Electronic supplementary information (ESI) available: Experimental procedures, synthesis and characterization data for subcomponents and cages, and optical, microscopy, ESI-MS and NMR data. CCDC 1061936. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5sc03065j Click here for additional data file. Click here for additional data file.

One-step entry to olefin-tethered N,S-heterocyclic carbene complexes of ruthenium with mixed ligands.

A series of Ru(II) mixed-ligand complexes RuBr(2)(PPh(3))(2)(N-AyBzTh) (Ay = prop-2-enyl; BzTh = benzothiazol-2-ylidene) (4), RuBr(OAc)(PPh(3))(N-MeAyBzTh) (5), RuBr(OAc)(PPh(3))(N-MeBnBzTh)(2) (MeBn = 3-methylbut-2-enyl) (6) and RuCl(OAc)(PPh(3))(N-MeBnBzTh) (7) have been synthesized from Ru(OAc)(2)(PPh(3))(2) in one-pot condensation and ligand exchange reactions. X-ray single-crystal diffract...

Carbon monoxide-promoted carbene insertion into the aryl substituent of an N-heterocyclic carbene ligand: Buchner reaction in a ruthenium carbene complex.

In the presence of carbon monoxide, ruthenium carbenes give a net insertion/ring expansion (Buchner reaction) into one of the aromatic rings of the N-heterocyclic carbene ligand. In alkene metathesis applications, the N-heterocyclic carbene ligand is both robust and typically inert to reactions with the metal-bound carbene. This unique reaction is completely regioselective. The complexes obtain...

Mercury complexes of an N-heterocyclic carbene derived from a calixarene/azolium cyclophane hybrid

Reaction of mercuric acetate with an imidazolium-linked cyclophane incorporating 2,6-phenolic moieties results in formation of an interesting new N-heterocyclic carbene (NHC) complex of mercury. The new complex is cationic and binuclear, incorporating two mercury centres and two bis(NHC) ligands, each mercury atom being bound by two NHC moieties and two phenol/phenoxy moieties. Forms of the com...

Forward molecular design for highly efficient OLED emitters: a theoretical analysis of photophysical properties of platinum(II) complexes with N-heterocyclic carbene ligands.

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...