Neutral chloromethylpalladium(II) complexes, [Pd(Cl)(CH3)(L)] (1a-5a) with ligands κ(2)-N^S-2-((3,5-di-tert-butyl-1H-pyrazol-1-yl)methyl)-6-(phenylthiomethyl)pyridine (L1), κ(2)-N^S-2-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-6-(phenylthiomethyl)pyridine (L2), κ(2)-N^Se-2-((3,5-di-tert-butyl-1H-pyrazol-1-yl)methyl)-6-(phenylselanylmethyl)pyridine (L3), κ(2)-N^Se-2-((3,5-dimethyl-1H-pyrazol-1-yl)me...

BINAP (2,2'-diphenylphosphino-1,1'-binaphthyl) is a unique binaphthyl diphosphine ligand with axial chirality. The palladium complexes of BINAP and of its derivative TOLBINAP have found extensive applications in the field of asymmetric syntheses. The conformational changes in the BINAP and TOLBINAP ligands before and after coordination with palladium have been investigated using density functio...

The catalytic hydrogenation of levulinic acid, a key platform molecule in many biorefinery schemes, into γ-valerolactone is considered as one of the pivotal reactions to convert lignocellulose-based biomass into renewable fuels and chemicals. Here we report on the development of highly active, selective and stable supported metal catalysts for this reaction and on the beneficial effects of meta...

The mechanism of olefin substitution at palladium(0) has been studied, and the results provide unique insights into the fundamental reactivity of electron-rich late transition metals. A systematic series of bathocuproine-palladium(0) complexes bearing trans-beta-nitrostyrene ligands (ns(X) = X-C(6)H(4)CH=CHNO(2); X = OCH(3), CH(3), H, Br, CF(3)), (bc)Pd(0)ns(X) (3(X)), was prepared and characte...

The title compound, [Pd(4)(CH(2))(2)Cl(4)(C(28)H(40)P(2))(2)]·5C(4)H(8)O, possesses a tetra-nuclear palladium core with four bridging chlorido ligands and two bridging methyl-ene units, as well as two bridging anthracene-based bis-phosphine ligands. This tetra-nuclear complex can be considered as being composed of two μ-chlorido-bridged LPd(2) units. The structural motif of these LPd(2) units s...

Palladium-copper alloys continue to be of interest for hydrogen membrane applications because of their high catalytic activity for hydrogen dissociation, high hydrogen permeability, robustness, and degradation resistance in the presence of sulfur-containing compounds. This sulfur tolerance makes these alloys attractive for membrane applications where sulfur compounds are likely to be present, s...

A comparative study on the sensing properties of a tapered optical fiber pristine and functionalized with the palladium nanoparticles to hydrogen and volatile organic compounds (VOCs), is presented. The sensor response and, response/recovery times were extracted from the measurements of the transient response of the device. The tapered optical fiber sensor was fabricated using a single-mode opt...

Electrical generation from hydrogen, the element with higher energy density per unit mass, requires appropriated materials that can be used in its storage [1]. Palladium, with a high capacity to dissociate, absorb and desorb gaseous hydrogen, has been widely used for hydrogen storage [2], in separation membranes [3] and catalytic hydrogenation [4]. The present DFT calculations on clusters model...

A micellar solution of cetylpyridinium chloride (CPC) can separate into two phases due to a temperature change or to the addition of salts. Platinum(II), (IV) and palladium(II) reacted with chloride ions to form stable anionic complexes of PtCl4(2-), PtCl6(2-) and PdCl4(2-), respectively, and were adsorbed onto the CPC gel phase. The CPC phase plays the role of an ion-exchange adsorbent for the...

Tandem addition-cyclization reactions of 2-alkynylbenzenamines with isocyanates catalyzed by palladium chloride are described. This reaction is performed in the presence of 10 mol% of palladium chloride in THF at 80 degrees C, which provides an efficient and practical route for the synthesis of 1,2-disubstituted indoles.