3,3′-[1,2-Phenyl­enebis(methyl­ene)]bis­(1-ethyl­benzimidazolium) dibromide

In the title mol­ecular salt, C26H28N4 2+·2Br−, the central benzene ring makes dihedral angles of 76.75 (11) and 82.40 (10)° with the pendant benzimidazole rings. The corresponding angle between the benzimidazole rings is 57.03 (9)°. In the crystal, the cations and anions are linked via C—H⋯Br hydrogen bonds, forming sheets lying parallel to the bc plane. The crystal structure also features weak C—H⋯π inter­actions

Biologically relevant silver(i)-n-heterocyclic carbene complexes: synthesis, structure, intramolecular interactions, and applications

N-Heterocyclic carbenes (NHCs) complexed with silver represent new, broad-spectrum antimicrobial and anticancer agents, normally with low toxicity profiles, and they provide a range of versatile structures for targeted biological applications. Most of these complexes have shown higher cytotoxicity than cisplatin, a potent anticancer drug. This study reviews the design, synthesis, structural characterization, and biological applications of silver complexes derived from both functionalized and nonfunctionalized NHC ligands. Specifically, silver complexes of functionalized and nonfunctionalized imidazole- and benzimidazole-based NHC systems employed in antimicrobial and anticancer applications are reviewed. Advancements achieved in the use of silver(I)-NHC complexes of miscellaneous azolium ligands, such as 1,2,4-triazole and the heterocycle-fused imidazolium derivative xanthene are also reviewed. Encapsulation of a series of silver-NHC complexes in a polymer-based carrier material represents a promising method for the targeted delivery of silver ions to the infected sites. The advances achieved in this particular area are systematically reviewed in this paper. In general, these preliminary achievements reveal the potential of silver(I)-NHC complexes as efficient antimicrobial and anticancer candidates. NHC ligand design for the formation of mono- and binuclear AgI complexes is reviewed. Particular attention is paid to AgI-NHC complexes that exhibit different biological activities. The effects of different substituents on the structures of the complexes are investigated. AgI complexes with functionalized and nonfunctionalized NHCs are compared

Synthesis, characterization, density function theory and catalytic performances of palladium(II)-N-heterocyclic carbene complexes derived from benzimidazol-2-ylidenes

1-Benzyl-3-ethylbenzimidazolium iodide (1) and 1-benzyl-3-(2′-nitrilebenzyl)benzimidazolium bromide (2) were prepared by the reaction of 1-benzylbenzimidazole with ethyl iodide or 2-bromomethylbenzonitrile to act as N-heterocyclic carbene (NHC) precursors. Bis-NHC silver(I) complexes having halide (3a and 4a) as well as hexafluorophosphate (3b and 4b) counterions were yielded by the reaction of NHC precursors with silver(I) oxide. Subsequent reactions of the silver(I) halide/hexafluorophosphate complexes with [PdCl2(CNCH3)2] in methanol afforded the NHC palladium(II) complexes (5 and 6) via carbene transfer method. All synthesized compounds were fully characterized by analytical and spectrometric methods. Preliminary catalytic studies evinced that the nitrile-functionalized palladium(II)-NHC complex 6 is highly active in the oxidation of 1-octene as well as styrene in the presence of aqueous hydrogen peroxide as an oxidizing agent. Both the olefins were oxidized to their corresponding oxidized products with 45-52% conversion with moderate selectivity in the presence of NHC palladium complexes, which acted as oxidation catalysts. In order to investigate the suggested structure of the title complexes, density functional theory was used to find the stable structures of the palladium complexes and their isomers. Geometry parameters, molecular orbital energies, electronic energy, band gap, and vibrational frequencies were calculated

Sterically modulated palladium(II)-N-heterocyclic carbene complexes for the catalytic oxidation of olefins: synthesis, crystal structure, characterization and DFT studies

The synthesis of a series of sterically modulated palladium(II)-NHC complexes (9-11) of the general formula [Pd(NHC)(2)Cl-2] (NHC = 1-benzyl-3(2'-methyl)-propylbenzimidazol-2-ylidine, 1-benzyl-3 (2'-methyl)-butylbenzimidazol-2-ylidine and 1-benzyl-3-hexylbenzimidazol-2-ylidine) from their respective silver(I) counterparts (6-8) is presented. Two novel triazine-tethered Zwitterionic (benz) imidazolium salts, 4 and 5, were prepared and tested as NHC precursors for the preparation of silver(I) complexes. However, all our attempts to prepare silver(I) derivatives from salts 4 and 5 ended with negative results due to the low acidity of the C2 protons. The Zwitterionic derivative 4 was additionally characterized by the single crystal X-ray diffraction technique. The molecular structure of 4 evidenced pi-pi stacking interactions between the triazine rings of two crystallographically independent units. The palladium complexes 9-11 showed good catalytic activities in the epoxidation of 1-octene and styrene under homogeneous conditions with aqueous hydrogen peroxide as an oxidant. The effect of temperature and solvent on the epoxidation of the aforementioned olefins using complexes 9-11 was also explored. Density functional theory (DFT) was used to model the structures of the isomers of the palladium complexes. Geometry parameters, electronic energy, molecular orbital energies, band gap, vibrational frequencies and the cis-trans energy barrier were calculated

Tuning the Surface Functionality of Fe3O4 for Sensitive and Selective Detection of Heavy Metal Ions

The functionalization of materials for ultrasensitive detection of heavy metal ions (HMIs) in the environment is crucial. Herewith, we have functionalized inexpensive and environmentally friendly Fe3O4 nanoparticles with D-valine (Fe3O4–D–Val) by a simple co-precipitation synthetic approach characterized by XRD, FE-SEM, and FTIR spectroscopy. The Fe3O4–D–Val sensor was used for the ultrasensitive detection of Cd+2, Pb+2, and Cu+2 in water samples. This sensor shows a very low detection limit of 11.29, 4.59, and 20.07 nM for Cd+2, Pb+2, and Cu+2, respectively. The detection limits are much lower than the values suggested by the world health Organization. The real water samples were also analyzed using the developed sensor