A synthetic route to C(4/5)-bis(phosphinoyl)imidazole-2-thiones (7d,e) (d: R(1) = (n)Bu, R(2) = Me; e: R(1) = n-dodecyl, R(2) = Me) and C(4/5)-bis(thio/selenophosphinoyl)imidazole-2-thiones (8b,c), (9a,b,e) and 10a (a: R(1) = R(2) = Me; b: R(1) = R(2) = Ph, c: R(1) = (i)Pr, R(2) = Me) is presented that employs initial C(5) lithiation of mono-phosphinoyl/thiophosphinoyl substituted imidazole-2-t...

Mono- and di-substituted β-nitro derivatives have been obtained from the reaction of ttcorrFeCl with sodium nitrite in refluxing DMF. This result is unprecedented for iron corrolates and further evidences the non-innocent character of the corrole ligand.

Two new mono-substituted phenanthroline ligands and their platinum(II) square planar complexes have been prepared; one of the complexes has been shown to induce a high degree of quadruplex DNA stabilisation and to inhibit telomerase.

This study compares the results of the general effective fragment potential (EFP2) method to the results of a previous combined coupled cluster with single, double, and perturbative triple excitations [CCSD(T)] and symmetry-adapted perturbation theory (SAPT) study [Sinnokrot and Sherrill, J. Am. Chem. Soc., 2004, 126, 7690] on substituent effects in pi-pi interactions. EFP2 is found to accurate...

The reactions of cyclopropenones with nucleophiles (H2O or methanol) could be catalyzed by nitrogen-containing Lewis bases or phosphorus-containing Lewis bases, affording the corresponding mono- or multi-substituted allenic esters in moderate to excellent yields.

Lubricating oil-related engine emission reduction is now a key path to further control the engine-out level and meet restrict regulations, especially in manner of particulate number emission. This work experimentally studied contribution lubricating oil its constituents particle via monitoring combustion process analyzing physic-chemical characteristics. Two sets experiments were conducted unde...

A series of novel benzene centered mono-, bis- and tris-1,3,5-triazapentadiene ligands was synthesized and investigated with respect to their reactivity towards triphenylborane. The resulting blue-fluorescent boron complexes with a six-membered ring chelate structure show excellent thermal and chemical stability. All title compounds were completely characterized including X-ray diffraction stud...

The nanostructure of Ce doped OMS-2 plays a very important role in its catalytic property. We demonstrate by density functional theory (DFT) calculations that the unique nanostructure of the Ce ion substituted OMS-2 with Mn vacancy in the framework is beneficial for the improvement of catalytic activity, while the nanostructure of the Ce ion substituted OMS-2 without defects are detrimental to ...

In the title compound, C(15)H(10)BrClO(3)S, the 4-bromo-substituted benzene ring forms a dihedral angle of 72.55 (6)° with the mean plane [mean deviation = 0.008 (2) Å] of the benzofuran ring system. In the crystal, mol-ecules are linked by weak C-H⋯O hydrogen bonds into chains along [001]. There are also π-π inter-actions between the furan and benzene rings of symmetry-related benzofuran syste...

In the title compound, C(17)H(14)Cl(2)N(2)O, the dihedral angles between the pyrazole ring and the mean planes of the benzene and chloro-substituted benzene rings are 75.97 (1) and 16.63 (1)° respectively. In the crystal, two weak C-H⋯O inter-molecular hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances = 3.774 (4) and 3.716 (7) Å] are observed.