Read Books Online and Download eBooks, EPub, PDF, Mobi, Kindle, Text Full Free.
Graph Theory Derived Methods For The Study Of Metal Cluster Bonding Topology Applications To Post Transition Metal Clusters
Download Graph Theory Derived Methods For The Study Of Metal Cluster Bonding Topology Applications To Post Transition Metal Clusters full books in PDF, epub, and Kindle. Read online Graph Theory Derived Methods For The Study Of Metal Cluster Bonding Topology Applications To Post Transition Metal Clusters ebook anywhere anytime directly on your device. Fast Download speed and no annoying ads. We cannot guarantee that every ebooks is available!
Book Synopsis Graph Theory Derived Methods for the Study of Metal Cluster Bonding Topology: Applications to Post-Transition Metal Clusters by : R. B. King
Download or read book Graph Theory Derived Methods for the Study of Metal Cluster Bonding Topology: Applications to Post-Transition Metal Clusters written by R. B. King and published by . This book was released on 1986 with total page 6 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graph-theory derived methods have been used to study the chemical bonding topology of cludsters of post-transition metals such as Sn, Pb, Sb, and Bi thereby suggesting that similar structure and bonding ideas apply to both condensed phase and gas phase clusters of these metals. Keywords: Tin; Lead (Metal); Antimony; Bismuth; Chemical bonds.
Book Synopsis Physics and Chemistry of Small Clusters by : P. Jena
Download or read book Physics and Chemistry of Small Clusters written by P. Jena and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 932 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent advances in experimental techniques now enable researchers to produce in a laboratory clusters of atoms of desired composition from any of the elements of the periodic table. This has created a new area of research into novel materials since clusters cannot be regarded either as a "large" molecule or as a fragment of the bulk. Both experimental and theoretical studies are revealing unusual properties that are not ob served in solid state environments. The structures of micro-clusters are found to be significantly distorted from the most symmetric arrangement, some even exhibiting pentagonal symmetry commonly found in icosahedric structures. The unusual stability of certain clusters, now described as "magic number species", shows striking similarities with the nuclear shell structure. The relative stabilities of clusters depend not only on the composition of the clusters but also on their charged states. The studies on spontaneous fragmentation of mUltiply charged clusters, commonly referred to as Coulomb explosion, illustrate the role of electronic bonding mechanisms on stability of clusters. The effect of foreign atoms on geometry and stability of clusters and the interaction of gas atoms with clusters are showing promise for an indepth understanding of chemisorption and catalysis. The magnetic and optical properties are dependent not only on cluster size but also on its geometry. These findings have the potential for aiding industry in the area of micro-electronics and catalysis.
Book Synopsis Technical Reports Awareness Circular : TRAC. by :
Download or read book Technical Reports Awareness Circular : TRAC. written by and published by . This book was released on 1987-02 with total page 746 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1990 with total page 942 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Revue Roumaine de Chimie written by and published by . This book was released on 1991 with total page 864 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Metal Cluster Topology: Applications to Gold and Platinum Clusters by : R. B. King
Download or read book Metal Cluster Topology: Applications to Gold and Platinum Clusters written by R. B. King and published by . This book was released on 1985 with total page 11 pages. Available in PDF, EPUB and Kindle. Book excerpt: The graph-theory derived approach for metal cluster bonding is extended to gold and platinum clusters including spherical and toroidal centered gold clusters and stacked triangle platinum clusters; the latter appear to be novel examples of Moebius systems. Keywords: Graph theory; Metal clusters; Gold; Platinum; Stacked triangles; Moebius systems.
Book Synopsis Metal Cluster Topology. 1. Osmium Carbonyl Clusters by : R. B. King
Download or read book Metal Cluster Topology. 1. Osmium Carbonyl Clusters written by R. B. King and published by . This book was released on 1986 with total page 30 pages. Available in PDF, EPUB and Kindle. Book excerpt: Important theoretical approaches to metal cluster bonding including the Wade-Mingos skeletal electron pair method, the Teo topological electron count, the King-Rouvray graph theory derived method, and Lauher's extended Huckel calculations are shown to agree in their apparent skeletal electron counts for the most prevalent metal cluster polyhedra including the tetrahedron, the trigonal bipyramid (both ordinary and elongated), square pyramid, octahedron, bicapped tetrahedron, pentagonal bipyramid, and capped octahedron. The graph theory derived method is used to treat osmium carbonyl clusters containing from five to eleven osmium atoms. In this connection most osmium carbonyl clusters can be classified into the following types: (1) Clusters exhibiting edge-localized bonding containing multiple tetrahedral chambers; (2) Capped octahedral clusters derived from osmium carbonyl fragments. Other more unusual osmium carbonyl clusters such as the planar, the Os9 cluster, and the Os11 cluster can also be treated satisfactorily by this methods. The importance of the number of ligands around isoelectronic Os sub n systems in determining the cluster polyhedron is illustrated by the different cluster polyhedra. The tendency for osmium carbonyl clusters frequently to form polyhedra exhibiting edge-localized rather than globally delocalized bonding relates to the facility for osmium carbonyl vertices to contribute more than three internal orbitals to the cluster bonding.
Book Synopsis Government Reports Announcements & Index by :
Download or read book Government Reports Announcements & Index written by and published by . This book was released on 1987-04 with total page 1014 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Government Reports Annual Index by :
Download or read book Government Reports Annual Index written by and published by . This book was released on 1987 with total page 1262 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Metal Cluster Topology. 5. Infinite Delocalization in One and Two Dimensions: Lanthanide and Early Transition Metal Halide Clusters Built from Fused Octahedra by : R. B. King
Download or read book Metal Cluster Topology. 5. Infinite Delocalization in One and Two Dimensions: Lanthanide and Early Transition Metal Halide Clusters Built from Fused Octahedra written by R. B. King and published by . This book was released on 1986 with total page 25 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is shown how graph theory derived models for metal cluster bonding can be extended to infinite one-dimensional chains and infinite two-dimensional sheets of fused metal octahedra using lanthanide and early transition metal halide clusters as examples. Discrete octahedral metal clusters have the following skeletal bonding topologies distinguished by their electron counts: 1) Twelve edge-localized two-center bonds as in the Mo6(Mu3-X)8L6(4+) clusters; 2)Eight face-localized three-center bonds as in the Nb6(Mu2-X12)L6(2+) clusters; 3)Globally delocalized bonding with six two-center core bond as in the octahedral boranes, carboranes, and metal carbonyl clusters (e.g., Rh6(CO)16) and the zirconium octahedron clusters with light interstitial atoms such as Zr6CL12Be, Zr6CL13Be( - ), Zr6CL16Be(4- ), Zr6CL13B, Zr6CL14B( - ), Zr6CL15B(2- ), Zr6CL14C, and Zr6Cl15N. The infinite one-dimensional chains of fused octahedra in Gd2CL3 as well as the infinite two-dimensional sheets of fused octahedra in the zirconium monohalides have electron and orbital counts corresponding to six-center core bonds in each octahedral cavity and multicenter bonds in the two tetrahedral cavities for each octahedral cavity. A similar bonding model for bulk metals leads to the prediction of maximum heats of atomization for the group 6 metals.
Book Synopsis Government Reports Annual Index: Keyword A-L by :
Download or read book Government Reports Annual Index: Keyword A-L written by and published by . This book was released on 1987 with total page 1260 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Government Reports Annual Index: Corporate author by :
Download or read book Government Reports Annual Index: Corporate author written by and published by . This book was released on 1987 with total page 1028 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Chemical Applications of Topology and Group Theory. 23. A Comparison of Graph-Theoretical and Extended Huckel Methods for Study of Bonding in Octahedral and Icosahedral Boranes by : R. B. King
Download or read book Chemical Applications of Topology and Group Theory. 23. A Comparison of Graph-Theoretical and Extended Huckel Methods for Study of Bonding in Octahedral and Icosahedral Boranes written by R. B. King and published by . This book was released on 1986 with total page 30 pages. Available in PDF, EPUB and Kindle. Book excerpt: The graph theory derived model for the bonding topology in the globally delocalized polyhedral boranes B6H6(2- ) is evaluated by comparison of the energies of the core molecular orbitals with those obtained by the 1962 LCAO-MO extended Huckel calculations of Hoffmann and Lipscomb. Of particular interest is how well the complete graphs K sub 6 and K sub 12 used in the graph theory derived model approximate the bonding topologies of the unique internal orbital (radial orbitals) of the octahedron and icosahedron, respectively. In the case of the B6H6(2- ) octahedron the single positive eigenvalue of the K sub 6 graph corresponds to the results from the extended Huckel calculations. In the case of the B12H12(2- ) icosahedron the graph theory derived model is far less satisfactory since the singl positive eigenvalue of the K sub 12 graph disagrees with the four bonding core molecular orbitals (an A1g and three triply degenerate T sub 1u molecular orbitals) found by the extended Huckel calculations after removing the effect of the mixing of core and surface bonding orbitals corresponding to the same irreducible representations. However, this core-surface orbital mixing raises the energy of the triply degenerate T sub 1u core molecular orbitals to antibonding levels so that the graph theory derived model fortuitiously gives correct skeletal electron counts for the regular icosahedron despite this fundamental error.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1987 with total page 850 pages. Available in PDF, EPUB and Kindle. Book excerpt: Includes all works deriving from DOE, other related government-sponsored information and foreign nonnuclear information.
Download or read book Metal Clusters written by Walter Ekardt and published by John Wiley & Sons. This book was released on 1999-09-09 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metal Clusters Edited by Walter Ekardt Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany The current state of knowledge on these aggregated metal atoms, including both the fundamental principles and recent results, is presented here in a comprehensive form. Emphasis is placed on the theory linking it to the latest experimental results. Topics covered include: The Jellium Model; The Quantum Chemical Approach; Density Functional Theory and Car-Parrinello Molecular Dynamics; Dissociation, Fragmentation and Fission; Optical and Thermal Properties of Sodium Clusters; and Magnetic Properties of Transition Metal Clusters. Metal Clusters is set to become the standard reference work in this mature field and will be invaluable for all researchers in a broad range of disciplines from theoretical chemistry to condensed matter physics and materials science.
Book Synopsis Molecular-Orbital Studies of Transition- and Noble-Metal Clusters by the SCF-X(alpha) Scattered-Wave Method by : K. H. Johnson
Download or read book Molecular-Orbital Studies of Transition- and Noble-Metal Clusters by the SCF-X(alpha) Scattered-Wave Method written by K. H. Johnson and published by . This book was released on 1975 with total page 74 pages. Available in PDF, EPUB and Kindle. Book excerpt: The electronic structures of small copper, nickel, palladium, and platinum clusters having simple-cubic and cubo-octahedral geometries have been calculated, using the self-consistent-field X-alpha scattered-wave approach to molecular-orbital (MO) theory. As the cluster size and coordination number are increased, the MO results show increasing similarity to the electronic structures of the corresponding crystalline metals. The calculated ionization potentials decrease gradually with increasing cluster size and for the 13-atom cubo-octahedral clusters are approximately 2 eV greater than the corresponding average bulk work functions. Localized d-electron states are also observed for the cubo-octahedral transition-metal clusters. They appear to be cluster analogs of the 'surface states' postulated for crystalline transition metals and probably play an important role in the chemisorption and catalytic activities of small metal aggregates of the type utilized as the active centers of heterogeneous catalysts. The SCF-Xalpha-SW MO results for transition-metal clusters are critically compared with those obtained for similar clusters by the extended-Huckel (EH) and complete-neglect-of-differential-overlap (CNDO) methods. The implications of these results in surface-cluster studies of chemisorption on transition metals are discussed.
Book Synopsis Directory of Graduate Research by : American Chemical Society. Committee on Professional Training
Download or read book Directory of Graduate Research written by American Chemical Society. Committee on Professional Training and published by . This book was released on 1983 with total page 1294 pages. Available in PDF, EPUB and Kindle. Book excerpt:
