Search results for "Electron counting"
showing 2 items of 2 documents
X-X through-cage bonding in Cu, Ni, and Cr complexes with M3X2 cores (X=S, As).
2008
Density functional calculations on trinuclear complexes bridged by two sulfur atoms, [(tmeda)(3)Cu(3)(mu-S)(2)](3+), [(tmeda)(3)Ni(3)(mu-S)(2)](2+), and [(tmeda)(3)Ni(3)(mu-S(2))](4+), as well as on the formation of [(tmeda)(3)Cu(3)(mu-S)(2)](3+) from a dinuclear [(tmeda)(2)Cu(2)(mu-S(2))](2+) complex and a mononuclear [(tmeda)Cu(eta(2)-S(2))](+) fragment, are reported. A qualitative orbital analysis of the M(3)X(2) framework bonding is presented for the case in which each metal atom M has a square planar coordination sphere completed by one bidentate or two monodentate ligands (that is, [(L(2)M)(3)X(2)] compounds). It is concluded that a framework electron count (FEC) of 12 corresponds to …
Electronic and structural properties of palladium-based Heusler superconductors
2008
Abstract This work reports on superconductivity in the Heusler compounds Pd2ZrAl and Pd2HfAl. Magnetisation and resistance measurements were carried out to verify their superconducting states. The compounds exhibit transition temperatures of 3.2 K (Zr) and 3.4 K (Hf). From their behaviour in external magnetic fields, it was determined that both compounds are type II superconductors. Similar to the half-metallic ferromagnets, the superconducting Heusler compounds follow an electron counting scheme based on theoretical considerations. As found from ab initio calculations, the superconductivity can be explained by a valence instability at the L -point, that has been used as design criterion.