Chalcogenide model

Generally, the experimental results on electrodeposition of CdS in acidic solutions of thiosulfate have implied that CdS growth does not involve underpotential deposition of the less noble element (Cd), as would be required by the theoretical treatments of compound semiconductor electrodeposition. Hence, a fundamental difference exists between CdS and the other two cadmium chalcogenides, CdSe and CdTe, for which the UPD model has been fairly successful. Besides, in the present case, colloidal sulfur is generated in the bulk of solution, giving rise to homogeneous precipitation of CdS in the vessel, so that it is quite difficult to obtain a film with an ordered structure. The same is true for the common chemical bath CdS deposition methods. 

The arrangement of zinc and sulfur atoms in the Zn4S core is similar to the observed Zn40. Theoretical calculations demonstrated that the compound is a poor model of extended metal chalcogenide semiconductors (ZnS). Octanuclear zinc compounds have also been structurally characterized with this core. In the presence of an alkylammonium cation, a sulfide containing octanuclear zinc species was formed [BzEt3N]2[Zng(S)(SBz)i6].126 The complexes with benzylthiolate... 

Elastic-inelastic collision model, Szilard-Chalmers reaction and, 1 269 Electrical conduction, in organic superconductors, 29 278-286 Electrical conductivity of chalcogenide halide compounds, 23 331 of Group IB, 23 337-339, 342, 346-349 photoelectric effects, 23 368, 410 semiconductors, 23 368, 390, 395-396, 400-402, 410-412 superconductors, 23 375-377 of graphite intercalation compounds, 23 290, 294, 309-310, 312, 317-318 Electric discharges arc type, 6 146-147 chemical reactions in, 6 189-191 chemical reactions in, 6 143-206... 

X-ray crystallography, 40 20-21 synthetic models, 40 23-48 xanthane oxidase, 40 21-23 chalcogenide halides, 23 370-377, 413 Chevrel phases, 23 376-377 metal-metal bonding, 23 330, 373 structural data, 23 373-376 as superconductors, 23 376 synthesis, 23 371-372 chloride, 46 4-24, 35-44 heterocations of, 9 290, 291 cluster compounds, 44 45-46 octahedral, 44 47-49, 53-63 electronic structure, 44 55-63 molecular structure, 44 53-54 synthesis, 44 47-49 rhomboidal, 44 75-82 solid-state clusters and, 44 66-72, 74-75, 80-82, 85-87 tetrahedral, 44 72-75 triangular, 44 82-87 cofactor, 40 2, 4-12 anaerobic isolation, 40 5 molybdopterin and, 40 4-8 reduced form, 40 12 synthesis, 40 8-12 xanthine oxidase, 45 60-63 complexes... 

In the cellular multiple scattering model , finite clusters of atoms are subjected to condensed matter boundary conditions in such a manner that a continuous spectrum is allowed. They are therefore not molecular calculations. An X type of exchange was used to create a local potential and different potentials for up and down spin-states could be constructed. For uranium pnictides and chalcogenides compounds the clusters were of 8 atoms (4 metal, 4 non-metal). The local density of states was calculated directly from the imaginary part of the Green function. The major features of the results are ... 

Relations between the structure and properties have been investigated in a variety of solids such as metal oxides, chalcogenides, pnictides and halides. In addition to studying model systems for testing theoretical predictions, solid state chemists have been preparing new classes of solids as well as novel members of known types of solids. In this section, we have chosen three classes of solids, viz. metal oxides, metal sulphides and metal fluorides, to discuss structure-property relations we shall concentrate especially on their electrical and magnetic properties. 

Jj,j-orbitals having the highest energy. In the ligand field model, the metal d-orbitals do not mix with the chalcogenide s- and p-orbitals and the metal d-... 

Heterometal alkoxide precursors, for ceramics, 12, 60-61 Heterometal chalcogenides, synthesis, 12, 62 Heterometal cubanes, as metal-organic precursor, 12, 39 Heterometallic alkenes, with platinum, 8, 639 Heterometallic alkynes, with platinum, models, 8, 650 Heterometallic clusters as heterogeneous catalyst precursors, 12, 767 in homogeneous catalysis, 12, 761 with Ni—M and Ni-C cr-bonded complexes, 8, 115 Heterometallic complexes with arene chromium carbonyls, 5, 259 bridged chromium isonitriles, 5, 274 with cyclopentadienyl hydride niobium moieties, 5, 72 with ruthenium—osmium, overview, 6, 1045—1116 with tungsten carbonyls, 5, 702 Heterometallic dimers, palladium complexes, 8, 210 Heterometallic iron-containing compounds cluster compounds, 6, 331 dinuclear compounds, 6, 319 overview, 6, 319-352... 

The Goodenough model (10) can account for the electrical properties of ternary rhodium chalcogenides of the type ARh2X4. The octa-hedrally coordinated Rh3+(4d6) has the low-spin configuration, and no contribution to the conductivity is made either by direct interaction of the cation t2g orbitals or by indirect e -anion s,pa interaction. This is not the case, however, for the M cations in the MRh2X4 compounds. For example, Ni2+(f2/e/) may contribute to metallic conductivity via formation of partially-filled or bands as a result of nickel e -anion s,pa interactions. Similar considerations apply to the other ternary rhodium chalcogenides. 

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