Author: Anna Christina Balazs
Publisher:
ISBN:
Category : Catalysis
Languages : en
Pages : 300

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Book Description

Author: Yves Jean
Publisher: OUP Oxford
ISBN: 9780191513695
Category : Science
Languages : en
Pages : 288

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Book Description
This book starts with the most elementary ideas of molecular orbital theory and leads the reader progressively to an understanding of the electronic structure, geometry and, in some cases, reactivity of transition metal complexes. The qualitative orbital approach, based on simple notions such as symmetry, overlap and electronegativity, is the focus of the presentation and a substantial part of the book is associated with the mechanics of the assembly of molecular orbital diagrams. The first chapter recalls the basis for electron counting in transition metal complexes. The main ligand fields (octahedral, square planar, tetrahedral, etc.) are studied in the second chapter and the structure of the "d block" is used to trace the relationships between the electronic structure and the geometry of the complexes. The third chapter studies the change in analysis when the ligands have pi-type interactions with the metal. All these ideas are then used in the fourth chapter to study a series of selected applications of varying complexity (e.g. structure and reactivity). The fifth chapter deals with the "isolobal analogy" which points out the resemblance between the molecular orbitals of inorganic and organic species and provides a bridge between these two subfields of chemistry. The last chapter is devoted to a presentation of basic Group Theory with applications to some of the complexes studied in the earlier chapters.

Author:
Publisher:
ISBN:
Category : Aeronautics
Languages : en
Pages : 1370

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Book Description
Lists citations with abstracts for aerospace related reports obtained from world wide sources and announces documents that have recently been entered into the NASA Scientific and Technical Information Database.

Author: Alan Charles Cooper
Publisher:
ISBN:
Category :
Languages : en
Pages : 414

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Author:
Publisher:
ISBN:
Category : Materials
Languages : en
Pages : 922

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Author: Ralf Vanselow
Publisher:
ISBN:
Category : Solid state chemistry
Languages : en
Pages : 554

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Book Description

Author: Edmund Drauglis
Publisher: Springer Science & Business Media
ISBN: 146158759X
Category : Technology & Engineering
Languages : en
Pages : 604

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Book Description
THE PHYSICAL BASIS FOR HETEROGENEOUS CATALYSIS is the proceedings of the ninth Battelle Colloquium in the Materials Sciences, held in Gstaad, Switzerland, September 2-6, 1974. It took as its theme the application of modern theoretical and experimental surface physics to heterogeneous catalysis. Progress in the field by classical chemical methods seemed to have slowed down, at a time when the need for better catalysts was particularly great. The Organizing Committee thought it might be possible to accelerate progress by the application of the powerful techniques evolved in recent years for studying atomically clean surfaces. However, the translation of ideas derived from clean single crystal surfaces with well characterized chemisorbed layers to real catalysts with high ratios of surface to mass on which reactions were taking place and requiring transport of mass and energy is a giant step, raising many questions and requiring thorough discussion by surface physicists on the one hand and catalytic chemists on the other. The 1974 Battelle Colloquium provided a forum for this exchange. As its usual custom, the Colloquium started the first day of introduc tory lectures by three distinguished scientists who have contributed impor tantly over many years to this field.

Author: Massachusetts Institute of Technology
Publisher:
ISBN:
Category : Materials
Languages : en
Pages : 474

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Author: K. H. Johnson
Publisher:
ISBN:
Category :
Languages : en
Pages : 74

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Book Description
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.

Author:
Publisher: Academic Press
ISBN: 0080565425
Category : Technology & Engineering
Languages : en
Pages : 424

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Book Description
Advances in Catalysis