In the title complex, {[Ag(2)(CF(3)O(3)S)(2)(C(30)H(20)N(6))]·C(6)H(6)}(n), the two independent Ag(I) ions are each coordinated by two N atoms and one O atom in a 'T-shaped' geometry. In the crystal structure, 1,2-bis-[(3-cyano-benzyl-idene)hydrazono]-1,2-diphenyl-ethane ligands act as bridging ligands and each coordinates to four Ag(I) ions, resulting in a one-dimensional chain structure. The ...

Horizontal drilling and hydraulic fracturing have enhanced unconventional hydrocarbon recovery but raised environmental concerns related to water quality. Because most basins targeted for shale-gas development in the USA have histories of both active and legacy petroleum extraction, confusion about the hydrogeological context of naturally occurring methane in shallow aquifers overlying shales r...

In the title compound, [Ni(H(2)O)(6)](C(16)H(12)O(6))·H(2)O, the Ni(II) cation is located on a mirror plane and is coordinated by six water mol-ecules, two of which are also located on the mirror plane, in a distorted octa-hedral geometry. The 4,4'-(1,2-dihy-droxy-ethane-1,2-di-yl)dibenzoate anion is centrosymmetric with the mid-point of the central ethane C-C bond located on an inversion cente...

Equilibrium molecular dynamics simulations of mixtures of n-decane with methane, ethane, and carbon dioxide and of the mixture carbon dioxide-ethane were performed using the anisotropic united atoms model for n-decane and oneand two-center Lennard-Jones models for the light components. The GreenKubo relations were used to calculate the viscosity, thermal conductivity, and interand intradiffusio...

In the title compound, CH(6)N(3) (+)·C(16)H(31)O(4)S(2) (-) [systematic name: guanidinium 2-(tetra-deca-noylsulfan-yl)ethane-sulfon-ate], each 2-(myristoyl-thio)-ethane-sulfonate ion displays hydrogen bonding to three guanidinium counter-ions, which themselves display hydrogen bonding to two symmetry-related 2-(myristoylthio)ethanesulfonate ions. Thus each cation forms six N-H⋯O bonds to neighb...

Ab initio total-energy calculations of the elementary reaction steps leading to acetylene, ethylene and ethane formation and their decomposition on Fe(100) are described. Alongside the endothermicity of all the formation reactions, the crucial role played by adsorbed ethyl as main precursor towards both ethylene and ethane formation, characterises Fe(100) surface reactivity towards C(2)H(x) (x ...

A diversified family of enantiopure P-stereogenic "R-SMS-Phos" {R-SMS-Phos = 1,2-bis[(o-RO-phenyl)(phenyl)phosphino]ethane} ligands wherein R = branched or heteroatom-substituted alkyl, aralkyl, silyl, acyl, sulfonyl, etc. was screened for the Rh(I)-catalyzed hydrogenation of a representative set of olefinic substrates. This systematic and detailed investigation revealed a marked beneficial imp...

The title compound, {(C(14)H(18)N(2))[Pb(2)I(6)]}(n), consists of discrete 1,1'-dimethyl-4,4'-(ethane-1,2-di-yl)dipyridinium cations and one-dimensional [Pb(2)I(6)](n) anions. The organic cation has an inversion center at the mid-point of the ethane C-C bond. In the anion, the Pb(II) atom is coordinated by six I atoms in a distorted octa-hedral geometry. The I atoms bridge the Pb(II) atoms into...

We study a carbon-supported palladium-based catalyst during the hydrogenation of ethylene to ethane in wide range partial pressures and hydrogen.