The CO 2 -assisted oxidative dehydrogenation of ethane (ODH-CO ) attracts a lot research interest since it combines greenhouse gas utilization with the production valuable chemicals.

Stable pentaborane, B&H9, is one of the boron hydrides, a short, comparatively little studied series of extraordinary compounds for which a satisfactory elementary valence theory is lacking. In 1947 we decided to undertake new electron diffraction studies of the molecular structures. The early diffraction work and most of the theoretical discussion had been too much influenced (it now seems) by...

In the present research study, we present the development of a model for predicting the adsorption of binary mixtures of nonpolar molecules, as well as polar molecules, based on density functional theory with mean-field approximation in narrow slit-pores. The first system under consideration is comprised of a binary mixture of nonpolar molecules, modeled by considering intermolecular dispersion...

The title compound, C12H14N6O, consists of three pyrazole rings bound via nitro-gen to the distal ethane carbon of meth-oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol-ecules are linked by bifurcated C-H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C-H⋯O hydrogen bonds,...

The influence of the particle ‘‘memory’’ on long-range diffusion in the channel network of silicalite is taken into account by considering pairs of subsequent steps between the channel intersections. It is shown that in this case the correlation rule between the principal elements of the diffusion tensor has to be modified by including an additional term, which takes account of the deviation of...

Interaction between heme centers has been cleverly implemented by Nature in order to regulate different properties of multiheme cytochromes, thereby allowing them to perform a wide variety of functions. Our broad interest lies in unmasking the roles played by heme-heme interactions in modulating different properties viz., metal spin state, redox potential etc., of the individual heme centers us...

X-ray crystal structures and properties of the two Pd(II) and Pt(II) complexes [bpeH2][PdCl4] and [Pt(bpe)Cl2], [bpe = l,2-bis(pyridin-2-yl)ethane] are described and corre­ lated with the IR and ‘H N M R/13C NMR spectroscopic data. In the case of the Pt(II) com­ plex, the l,2-bis(pyridin-2-yl)ethane is bound to the metal by the heterocycle nitrogen atoms but no direct bond is found in the case ...

In the title chain compound, [Ag(NO(3))(C(26)H(24)P(2))](n), the bis-(diphenyl-phosphino)ethane (dppe) units link the Ag(+) ions into chains along [001]. A nitrate anion is coordinated to the Ag atom. There is a centre of symmetry at the mid-point of the ethane C-C bond and a twofold rotation axis passes through the Ag, N and terminal O atoms. Each Ag atom is four-coordinated in a distorted tet...

In the title compound, C(2)H(10)N(2) (2+)·2C(9)H(3)Br(4)O(4) (-)·CH(4)O, the N atoms of the ethane-1,2-diamine mol-ecule are protonated. The crystal structure is stabilized by N-H⋯O hydrogen bonds between the ethane-1,2-diaminium cations and 3,4,5,6-tetra-bromo-2-(methoxy-carbon-yl)bromo-benzoate anions, and by O-H⋯O and N-H⋯O hydrogen bonds between the methanol solvate and both the cation and ...

High-resolution solid state 13C, 23Na and 31P NM R data have been obtained for the acid form and for several salts o f the phosphonic acids: ethane-1 ,2 -diphosphonic acid, ethane-l-hydroxy1.1-diphosphonic acid (H E D P ), and 3-am ino-l-hydroxypropane-l,l-diphosphonic acid. The data provide evidence by which sample purity and crystallinity may be examined and from which the size of the asymmet...