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...

Palladium complexes of two new types of unsymmetrical pyridyl-supported pyrazolyl-N-heterocyclic carbene ligands were synthesized and structurally characterized. A strategy to release the steric strain of the ligand was realized by the introduction of methylene linkers to the ligand molecule. All the palladium complexes exhibited good to excellent catalytic activity in Suzuki-Miyaura reactions ...

Introduction: The chemistry of metal complexes derived from heterocyclic compounds has attracted considerable interest due to the broad range of pharmacological activities of such compounds. The important pathogens such as Escherichia coli, and Staphylococcus aureus are wildly caused many diseases. So antibacterial activity of Zn (Ⅱ), Ni (Ⅱ), Co (Ⅱ) and Cu (Ⅱ) chromone complexes against two kin...

Based on a Natural Resonance Theory study, 2,1-benzazaphosphole exhibits dualistic behavior and can serve as heterodiene or hidden phosphinidene. This intriguing property has been confirmed chemically. It is able to react with established dienophiles via hetero-Diels-Alder reaction, thereby forming new heterocyclic compounds, but it also donates two transition metals 4e ligand, thus mimicking p...

Benzoylthiourea derivatives containing heterocyclic moiety strongly coordinate and stabilize the organometallic fac-[Re(CO)3]+ core forming both monomer multimer organorhenium(I) complexes. The reaction of isophthaloyl dichloride with potassium thiocyanate in acetone followed by addition diphenylamine led to a novel benzoylthiourea derivative triazinethione ligand, typically 3-(4-(diphenylamino...

Bimetallic homonuclear iron(II) and ruthenium(II) N-heterocyclic carbene complexes have been synthesized and crystallographically analyzed. As a spacer ligand for interconnecting the two redox-active metal centers, a ditopic carbene ligand has been used that comprises two carbene sites annelated to benzene. Detailed electrochemical and spectroelectrochemical analyses of the bimetallic systems r...

The synthesis of copper, gold, nickel, palladium, platinum, and iron complexes with open chain tetra-N-heterocyclic carbene (NHC) ligands via transmetalation using silver NHC complexes is presented. The obtained complexes show differing coordination geometries depending on both ligand structure and metal. While the complexes of the coinage metals form di- or tetranuclear structures, the group 1...

A novel mixed-ligand copper(II) complex with N-(p-methoxybenzyl)-iminodiacetato(2)) ligand (MOBIDA) and adenine (AdeH) of formula 1⁄2CuðMOBIDAÞðAdeHÞðH2OÞ H2O has been obtained. Its crystal structure reveals the selective formation of a rare Cu– N3(AdeH) bond, closely related to those reported by first time for compounds of general formula 1⁄2CuðBÞðAdeHÞðH2OÞ H2O, with B1⁄4N-benzylor N-(p-methy...

The chemical oxidation of rhodium(i) complexes [Rh(L)(COD)][BF4], where L is a ferrocenyl phosphine/N-heterocyclic carbene ligand, with 2 equiv. triaryl-aminium salt [(4-BrC6H4)3N][BF4] in acetonitrile gave planar chiral, air-stable [Rh(L–H)(MeCN)3][BF4]2 the ferrocene (C5H4CH2ImR or C5H4CH2BImCH2Mes) ring has been C–H activated at position good to excellent yields. An important reactivity diff...