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The 4,4′-bi­pyridine spacer in the crystal structure of the title compound, {[Cu(C10H8N2)2(H2O)]2(C8H4O4)·2H2O} n, links the water-coordinated CuI atoms into a linear chain in which the metal atom exists in a T-shaped environment [N—Cu—N = 156.6 (1)°]. Interacting through the coordinated water mol­ecules, the chains connect with the centrosymmetric terephthalate dianions and uncoordinated water mol­ecules to form a three-dimensional network structure. [ABSTRACT FROM AUTHOR]

Hydrogen and hydrogen-injected natural gas have been vigorously developed. However, H 2 can cause hydrogen embrittlement of pipeline steel during transportation. To investigate the mechanism of CO suppression of hydrogen embrittlement in pipeline steels, this work utilizes the first-principles method of density functional theory (DFT) to explore the impact of CO on H 2 dissociation and H diffusion processes on Fe(100) and Fe(110) surfaces. Adsorption of CO reduces the charge density around Fe atoms, with the surface charge density of (110) reduced to a greater extent. The planar-average charge density shows that the change in charge density is primarily focused near the interface, where charge of the matrix Fe atom is partially transferred to C atom of CO molecule. An increase in the dissociation energy barrier shows that CO has an inhibitory effect on the dissociation of H 2. In addition, CO can hinder H atom diffusion on the Fe surface. Among them, the hindrance of penetration from surface to interior of the bulk structure is the most obvious, and the strength of hindrance also depends on how close the CO is to the H atom. This study theoretically explains the inhibition mechanism of CO on hydrogen embrittlement of pipeline steel. [ABSTRACT FROM AUTHOR]

The Zn atom in the title compound, [Zn(H2O)6](C6H4NO3)2, lies on a special position of 2/ m site symmetry in an octa­hedron made up of water mol­ecules. The anion is disordered across a mirror plane. The cation inter­acts with the anion indirectly through hydrogen bonds to form a three-dimensional network. [ABSTRACT FROM AUTHOR]

The molecule of the title compound, C10H18N8S2, lies on a twofold rotation axis. Methyl C atoms contact N atoms of adjacent mol­ecules through C—H⋯N hydrogen bonds [3.445 (3) Å] in a mol­ecular layer. In addition, the layers are linked by weak S⋯S inter­actions [3.636 (3) Å]. [ABSTRACT FROM AUTHOR]