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The chemical bond : chemical bonding across the perodic table / / edited by Gernot Frenking and Sason Shaik
| The chemical bond : chemical bonding across the perodic table / / edited by Gernot Frenking and Sason Shaik |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 |
| Descrizione fisica | 1 online resource (544 p.) |
| Disciplina | 541.224 |
| Soggetto topico |
Chemical bonds - Mathematical models
Chemical bonds |
| ISBN |
3-527-66467-X
3-527-66465-3 3-527-66468-8 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910132214803321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The chemical bond : fundamental aspects of chemical bonding / / edited by Gernot Frenking and Sason Shaik
| The chemical bond : fundamental aspects of chemical bonding / / edited by Gernot Frenking and Sason Shaik |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 |
| Descrizione fisica | 1 online resource (411 p.) |
| Disciplina | 541.224 |
| Soggetto topico |
Chemical bonds - Mathematical models
Chemical bonds - Study and teaching |
| ISBN |
3-527-66471-8
3-527-66469-6 3-527-66472-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910132214503321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The chemical bond : chemical bonding across the perodic table / / edited by Gernot Frenking and Sason Shaik
| The chemical bond : chemical bonding across the perodic table / / edited by Gernot Frenking and Sason Shaik |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 |
| Descrizione fisica | 1 online resource (544 p.) |
| Disciplina | 541.224 |
| Soggetto topico |
Chemical bonds - Mathematical models
Chemical bonds |
| ISBN |
3-527-66467-X
3-527-66465-3 3-527-66468-8 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910816449003321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The chemical bond : fundamental aspects of chemical bonding / / edited by Gernot Frenking and Sason Shaik
| The chemical bond : fundamental aspects of chemical bonding / / edited by Gernot Frenking and Sason Shaik |
| Pubbl/distr/stampa | Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 |
| Descrizione fisica | 1 online resource (411 p.) |
| Disciplina | 541.224 |
| Soggetto topico |
Chemical bonds - Mathematical models
Chemical bonds - Study and teaching |
| ISBN |
3-527-66471-8
3-527-66469-6 3-527-66472-6 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Record Nr. | UNINA-9910809943103321 |
| Weinheim, Germany : , : Wiley-VCH Verlag GmbH & Co, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The Chemical Bond I : 100 Years Old and Getting Stronger / / edited by D. Michael P. Mingos
| The Chemical Bond I : 100 Years Old and Getting Stronger / / edited by D. Michael P. Mingos |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (VII, 252 p.) |
| Disciplina | 541.224 |
| Collana | Structure and Bonding |
| Soggetto topico |
Inorganic chemistry
Chemistry, Physical and theoretical Physical chemistry Inorganic Chemistry Theoretical and Computational Chemistry Physical Chemistry |
| ISBN | 3-319-33543-X |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto | The Chemical Bond: Lewis and Kossel’s Landmark Contribution -- Charge Density and Chemical Bonding -- Lewis Description of Bonding in Transition Metal Complexes -- Gilbert Lewis and the Model of Dative Bonding -- Structure and Bonding Patterns in Large Molecular Ligated Metal Clusters -- Electronic Properties of Endohedral Clusters of Group 14 -- The Rich Structural Chemistry Displayed by the Carbon Monoxide as a Ligand to Metal Complexes. |
| Record Nr. | UNINA-9910254044803321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
The Chemical Bond II : 100 Years Old and Getting Stronger / / edited by D. Michael P. Mingos
| The Chemical Bond II : 100 Years Old and Getting Stronger / / edited by D. Michael P. Mingos |
| Edizione | [1st ed. 2016.] |
| Pubbl/distr/stampa | Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 |
| Descrizione fisica | 1 online resource (VII, 267 p.) |
| Disciplina | 541.224 |
| Collana | Structure and Bonding |
| Soggetto topico |
Inorganic chemistry
Chemistry, Physical and theoretical Physical chemistry Inorganic Chemistry Theoretical and Computational Chemistry Physical Chemistry |
| ISBN | 3-319-33522-7 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Intro -- Preface -- Contents -- Lewis and Kossel´s Legacy: Structure and Bonding in Main-Group Compounds -- 1 Introduction: The Contributions of G. N. Lewis, W. Kossel, and I. Langmuir from 1916 to 1923 -- 2 Structure and Bonding in Crystalline Alkali Metal Halides -- 2.1 Structure and Bonding in Gaseous, Monomeric Alkali Metal Halides -- 3 The Dihalides of the Group 2 and Group 12 Metals: From Ionic to Polar Covalent Bonding -- 3.1 Structures and Bonding in the Solid State -- 3.2 The Electrical Conductivities of Molten Dichlorides -- 3.3 Structure and Bonding in the Gaseous Monomers -- 4 Ionic Radii -- 4.1 Atomic Radii from Unit Cell Dimensions -- 4.2 Topological Analyses of Charge Densities in Ionic Crystals and ``Crystal Radii´´ -- 5 Electronegativity and Electronegativity Coefficients -- 6 Covalent Compounds: Bond Distances and Coordination Geometries -- 6.1 The Crystal Structures of the Group 14 Elements -- 6.2 Standard Tetrahedral Bond Radii -- 6.3 Covalent Radii -- 6.4 Coordination Geometries and sp Hybrid Atomic Orbitals -- 6.5 Coordination Geometries and Electron Counts -- 6.6 Inductive Effects on Bond Distances and Bond Energies -- 7 Coordination Compounds and Electron Donor-Acceptor Bonds -- 7.1 Werner´s Model for the Structures of Complex Salts of Transition Metals -- 7.2 Coordinate Links and Electron Donor-Acceptor Bonds -- 7.3 The Difference Between Coordinate and Normal Covalent Bonds: Amine Borane and Ethane -- 7.4 Aminoborane and Dative pi-Bonding -- 7.5 Coordination Compounds of Aluminum -- 7.6 Aluminum Amides, Aluminum Imides, and Aluminum Nitride: Al-N Bonds with Partial Dative Character -- 7.7 Some Coordination Compounds of Zinc and Silicon -- 7.8 Anionic Complexes -- 8 Lewis-Valent and Subvalent Chlorides of the Group 13 and 14 Elements -- 8.1 The Inert Electron Pair.
8.2 The Polar Covalent Chlorides of the Group 12 Metals -- 8.3 The Group 13 Element Chlorides -- 8.4 The Group 14 Element Chlorides -- 9 Compounds of Hypervalent Main-Group Elements -- 9.1 The Structures of Hypervalent Compounds of Phosphorus -- 9.2 The Structures of Hypervalent Compounds of Sulfur -- 9.3 Hypervalent Compounds of Group 17 Elements -- 9.4 Hypervalent Compounds of Xenon -- 9.5 Nitrogen Oxides and Related Compounds -- 9.6 d-Orbitals or Not: Ab Initio Calculations and Electron Density Studies -- 10 Concluding Remarks -- 10.1 Electron Pairs and Electron Octets -- References -- Quantum Chemical Topology -- 1 Chemical Bonding Is Alive -- 2 The Roots of the Chemical Bond -- 3 Lewis -- 4 The Electron Density -- 5 The Topological Atom -- 6 The Nature of the Topological Partitioning -- 7 The Quantum Atom -- 8 The Bond Critical Point (BCP) -- 9 Interacting Quantum Atoms (IQA) -- 10 Applying IQA to Homonuclear Diatomics -- 11 Bond Order -- 12 Interatomic Exchange Energies (VxAB) in Some Simple Molecules -- 13 The Laplacian of the Electron Density: The Atomic L-Graph -- 14 Atomic Charges -- 15 Conclusion -- References -- Electron Pairs in Position Space -- 1 Introduction -- 2 Short Survey on Localizability -- 2.1 Event Probabilities and Loges -- 2.2 Correlation of Electronic Motion -- 2.3 Fermi Hole Mobility Function -- 2.4 Correction Term for Kinetic Energy Density -- 2.5 Electron Localization Function of Becke and Edgecombe -- 2.5.1 Interpretation of Dobson -- 2.6 Electron Localization Function of Savin -- 2.7 Variations on ELF -- 2.7.1 Removing the Orbital Dependency -- 2.7.2 Consideration of Wave Function Representation -- 2.7.3 ELF for Separate Contributions -- 2.8 Localized Orbital Locator -- 2.9 Probability Distributions and Maximal Probability Domains -- 2.10 Integrals of Pair Density -- 2.11 Electron Pair Localization Function. 2.12 Measure of Covariance -- 3 Some Remarks to ELF -- 3.1 ELF Does Not Mirror Pauli Repulsion -- 3.2 Uniform Electron Gas Calibration -- 3.3 Calculations with Pseudopotentials -- 3.4 Differences of ELF Values -- 3.5 ELF for Correlated Wave Functions -- 4 Electron Localizability Indicator -- 4.1 From Continuous to Discrete -- 4.1.1 One-Dimensional Space -- 4.1.2 Compactness and Locality of Effects -- 4.1.3 Compact Space Partitioning Around an Atom -- 4.2 omega-Restricted Space Partitioning -- 4.2.1 1-Particle Control Function -- 4.2.2 2-Particle Control Function -- 4.3 From Discrete to Quasi-continuous -- 4.4 The Electron Localizability Indicator -- 4.4.1 ELI-D and ELI-q -- 4.4.2 ELI-D or ELI-q? -- 4.5 ELI for Ionic Bond -- 4.6 ELI for Covalent Bond -- 4.6.1 The C3H6 Molecule -- 5 Conclusions -- References -- New Landscape of Electron-Pair Bonding: Covalent, Ionic, and Charge-Shift Bonds -- 1 Introduction -- 2 The Development of the Notion of Electron-Pair Bonding -- 3 The Valence Bond Description of the Two-Electron Bond -- 3.1 The Pauling Covalent-Ionic Superposition Scheme of the Two-Electron Bond -- 3.2 Limitations of the Pauling Scheme -- 4 A Modern VB Perspective of the Two-Electron Bond -- 5 Characterization of CSB by Other Theoretical Methods -- 5.1 VB Characterization of Bond Types -- 5.2 ELF and AIM Characterization of Bond Types -- 5.2.1 ELF Characterization of Bond Types -- 5.2.2 AIM Characterization of Bond Types -- 6 Common Trends of Bond Types Revealed by VB, AIM, and ELF -- 6.1 Common Conclusions in VB and AIM Analyses of Bonds -- 6.2 Common Conclusions in VB and ELF Analyses of Bonds -- 6.3 Common Conclusions in VB, ELF, and AIM Analyses of Bonds -- 6.4 The Three Bonding Families -- 7 How Does MO Theory Reveal CSB? -- 8 Physical Origins of CSB -- 8.1 CSB and Atomic Size -- 8.2 The Pauli Repulsion Pressure as a Driving Force for CSB. Textbox -- 9 Trends in Electron-Pair Bonds -- 10 Additional Factors of CSB -- 11 Transforming Covalent Bonds to CSBs by Substitution -- 12 Experimental Manifestations of CS Bonding -- 12.1 Evidence for CSB from Electron Density Measurements -- 12.2 Atom Transfer Reactivity as Means of Experimental Quantification of Charge-Shift Resonance Energies -- 12.3 Mechanistic Impacts of CSB in the Ionic Chemistry of Silicon in Condensed Phases -- 13 CSB and Electron-Rich Hypervalent Molecules -- 13.1 Hypervalency of Noble Gas and Isoelectronic Groups -- 13.2 Pentacoordinated Silicon Compounds and Low-Barrier Hydrogen Bonds -- 14 Scope and Territory of CS Bonding and Concluding Remarks -- References -- The Relevance of the ELF Topological Approach to the Lewis, Kossel, and Langmuir Bond Model -- 1 The Interpretation of Footprints Yields to Understand the Matter -- 2 Electronic Domains in Quantum Mechanics -- 3 The ELF Basins -- 3.1 Nomenclature -- 3.2 Localization Domains -- 4 The Properties of the ELF Basins -- 4.1 The ELF Population Analysis -- 5 The ELF Basins and the Molecular Geometry -- 5.1 Arrangement of the Basins and VSEPR Rules -- 5.2 Molecular Deformations: Reactivity and Reaction Mechanisms -- 6 Characterization of the Bonding -- 7 A Useful Tool to Explain Chemistry -- Appendix A: Density of Probability Functions -- Appendix B: Statistical Population Analysis for Nonoverlapping Partition -- Appendix C: Mathematical Glossary -- Dynamical System -- Critical Points -- Domain -- Computational Details -- References -- Comparison of the Cr-Cr Quadruple and Quintuple Bonding Mechanisms -- 1 Introduction -- 2 The History of Multiple Bonding -- 3 Variability of the Cr-Cr Distances and Pyramidality Effect -- 4 Representative MO Diagrams for Cr-Cr Multiple Bonds -- 5 Quadruple vs. Quintuple Cr-Cr Bonds -- 6 A Close-Up on the Molecular Orbitals -- 7 Conclusions. 8 Computational Details -- References -- Index. |
| Record Nr. | UNINA-9910254047303321 |
| Cham : , : Springer International Publishing : , : Imprint : Springer, , 2016 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Chemical bonding at surfaces and interfaces [[electronic resource] /] / edited by Anders Nilsson, Lars G.M. Pettersson and Jens K. Nıorskov
| Chemical bonding at surfaces and interfaces [[electronic resource] /] / edited by Anders Nilsson, Lars G.M. Pettersson and Jens K. Nıorskov |
| Pubbl/distr/stampa | Amsterdam ; ; Oxford, : Elsevier, 2008 |
| Descrizione fisica | 1 online resource (533 p.) |
| Disciplina | 541.224 |
| Altri autori (Persone) |
NilssonAnders
PetterssonLars NıorskovJ. K (Jens K.) |
| Soggetto topico |
Chemical bonds
Surface chemistry |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-281-03451-7
9786611034511 0-08-055191-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Chemical Bonding at Surfaces and Interfaces; Copyright Page; Table of Contents; Preface; Chapter 1 Surface Structure; 1. Why surface structure?; 2. Methods of surface adsorbate structure determination; 2.1. General comments; 2.2. Electron scattering; 2.3. X-ray scattering; 2.4. Ion scattering; 2.5. Spectroscopic methods and scanning probe microscopy; 3. Adsorbate-induced surface reconstruction; 4. Molecular adsorbates - local sites, orientations and intramolecular bondlengths; 4.1. General issues and the case of CO on metals; 4.2. Simple hydrocarbons on metals
4.3. Carboxylates on metals4.4. Other substrates: molecules on Si; 5. Chemisorption bondlengths; 5.1. Metal surfaces; 5.2. Oxide surfaces; 6. Conclusions; Chapter 2 Adsorbate Electronic Structure and Bonding on Metal Surfaces; 1. Introduction; 2. Probing the electronic structure; 3. Adsorbate electronic structure and chemical bonding; 4. Adsorbate systems; 5. Radical atomic adsorption; 5.1. The electronic structure of N on Cu(100); 5.2. Chemical bonding of atomic adsorbates; 6. Diatomic molecules; 6.1. N2 adsorbed on Ni(100); 6.2. CO adsorbed on Ni(100) 6.3. CO adsorbed on Cu(100) and other metals6.4. CO adsorbed in different sites; 6.5. Coadsorption of CO and K on Ni(100); 7. Unsaturated hydrocarbons; 7.1. Ethylene (C2H4) adsorbed on Ni(110) and Cu(110); 7.2. Benzene on Ni and Cu surfaces; 7.3. Bond energetics and rehybridization from spin-uncoupling; 8. Saturated hydrocarbons; 8.1. n-Octane adsorbed on Cu(110); 8.2. Difference between octane on Ni and Cu surfaces; 9. Lone pair interactions; 9.1. Water adsorption on Pt and Cu surfaces; 9.2. Adsorption of ammonia and the amino group in glycine on Cu(110); 10. Summary Chapter 3 The Dynamics of Making and Breaking Bonds at Surfaces1. Introduction; 2. Theoretical background; 2.1. Adiabatic dynamics (Born-Oppenheimer approximation); 2.2. Generic PES topologies; 2.3. Dynamics vs. kinetics; 2.3.1. Direct dissociation; 2.3.2. Precursor-mediated dissociation; 2.4. Detailed balance; 2.5. Lattice coupling; 2.5.1. Energy transfer in adsorption/scattering; 2.5.2. Lattice coupling in direct molecular dissociation; 2.6. Non-adiabatic dynamics; 2.6.1. Hot electrons from chemistry; 2.6.2. Chemistry from hot electrons; 3. Experimental background 3.1. Experimental techniques3.2. Typical measurements; 3.2.1. Rate measurements; 3.2.2. Adsorption-trapping and sticking; 3.2.3. Desorption; 3.2.4. Scattering; 3.2.5. Initial state preparation; 3.2.6. Photochemistry/femtochemistry; 3.2.7. Single molecule chemistry (STM); 4. Processes; 4.1. Atomic adsorption/desorption/scattering; 4.1.1. Ar/Pt(111); 4.1.2. H/Cu(111); 4.2. Molecular adsorption/desorption/scattering; 4.2.1. NO/Ag(111); 4.2.2. NO/Pt(111); 4.3. Direct dissociation/associative desorption; 4.3.1. Activated dissociation; 4.3.2. Weakly activated dissociation 4.3.3. Non-activated dissociation |
| Record Nr. | UNINA-9910457254303321 |
| Amsterdam ; ; Oxford, : Elsevier, 2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Chemical bonding at surfaces and interfaces [[electronic resource] /] / edited by Anders Nilsson, Lars G.M. Pettersson and Jens K. Nıorskov
| Chemical bonding at surfaces and interfaces [[electronic resource] /] / edited by Anders Nilsson, Lars G.M. Pettersson and Jens K. Nıorskov |
| Pubbl/distr/stampa | Amsterdam ; ; Oxford, : Elsevier, 2008 |
| Descrizione fisica | 1 online resource (533 p.) |
| Disciplina | 541.224 |
| Altri autori (Persone) |
NilssonAnders
PetterssonLars NıorskovJ. K (Jens K.) |
| Soggetto topico |
Chemical bonds
Surface chemistry |
| ISBN |
1-281-03451-7
9786611034511 0-08-055191-2 |
| Classificazione | VE 7000 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Chemical Bonding at Surfaces and Interfaces; Copyright Page; Table of Contents; Preface; Chapter 1 Surface Structure; 1. Why surface structure?; 2. Methods of surface adsorbate structure determination; 2.1. General comments; 2.2. Electron scattering; 2.3. X-ray scattering; 2.4. Ion scattering; 2.5. Spectroscopic methods and scanning probe microscopy; 3. Adsorbate-induced surface reconstruction; 4. Molecular adsorbates - local sites, orientations and intramolecular bondlengths; 4.1. General issues and the case of CO on metals; 4.2. Simple hydrocarbons on metals
4.3. Carboxylates on metals4.4. Other substrates: molecules on Si; 5. Chemisorption bondlengths; 5.1. Metal surfaces; 5.2. Oxide surfaces; 6. Conclusions; Chapter 2 Adsorbate Electronic Structure and Bonding on Metal Surfaces; 1. Introduction; 2. Probing the electronic structure; 3. Adsorbate electronic structure and chemical bonding; 4. Adsorbate systems; 5. Radical atomic adsorption; 5.1. The electronic structure of N on Cu(100); 5.2. Chemical bonding of atomic adsorbates; 6. Diatomic molecules; 6.1. N2 adsorbed on Ni(100); 6.2. CO adsorbed on Ni(100) 6.3. CO adsorbed on Cu(100) and other metals6.4. CO adsorbed in different sites; 6.5. Coadsorption of CO and K on Ni(100); 7. Unsaturated hydrocarbons; 7.1. Ethylene (C2H4) adsorbed on Ni(110) and Cu(110); 7.2. Benzene on Ni and Cu surfaces; 7.3. Bond energetics and rehybridization from spin-uncoupling; 8. Saturated hydrocarbons; 8.1. n-Octane adsorbed on Cu(110); 8.2. Difference between octane on Ni and Cu surfaces; 9. Lone pair interactions; 9.1. Water adsorption on Pt and Cu surfaces; 9.2. Adsorption of ammonia and the amino group in glycine on Cu(110); 10. Summary Chapter 3 The Dynamics of Making and Breaking Bonds at Surfaces1. Introduction; 2. Theoretical background; 2.1. Adiabatic dynamics (Born-Oppenheimer approximation); 2.2. Generic PES topologies; 2.3. Dynamics vs. kinetics; 2.3.1. Direct dissociation; 2.3.2. Precursor-mediated dissociation; 2.4. Detailed balance; 2.5. Lattice coupling; 2.5.1. Energy transfer in adsorption/scattering; 2.5.2. Lattice coupling in direct molecular dissociation; 2.6. Non-adiabatic dynamics; 2.6.1. Hot electrons from chemistry; 2.6.2. Chemistry from hot electrons; 3. Experimental background 3.1. Experimental techniques3.2. Typical measurements; 3.2.1. Rate measurements; 3.2.2. Adsorption-trapping and sticking; 3.2.3. Desorption; 3.2.4. Scattering; 3.2.5. Initial state preparation; 3.2.6. Photochemistry/femtochemistry; 3.2.7. Single molecule chemistry (STM); 4. Processes; 4.1. Atomic adsorption/desorption/scattering; 4.1.1. Ar/Pt(111); 4.1.2. H/Cu(111); 4.2. Molecular adsorption/desorption/scattering; 4.2.1. NO/Ag(111); 4.2.2. NO/Pt(111); 4.3. Direct dissociation/associative desorption; 4.3.1. Activated dissociation; 4.3.2. Weakly activated dissociation 4.3.3. Non-activated dissociation |
| Record Nr. | UNINA-9910784592603321 |
| Amsterdam ; ; Oxford, : Elsevier, 2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Chemical bonding at surfaces and interfaces / / edited by Anders Nilsson, Lars G.M. Pettersson and Jens K. Nıorskov
| Chemical bonding at surfaces and interfaces / / edited by Anders Nilsson, Lars G.M. Pettersson and Jens K. Nıorskov |
| Edizione | [1st ed.] |
| Pubbl/distr/stampa | Amsterdam ; ; Oxford, : Elsevier, 2008 |
| Descrizione fisica | 1 online resource (533 p.) |
| Disciplina | 541.224 |
| Altri autori (Persone) |
NilssonAnders
PetterssonLars NıorskovJ. K (Jens K.) |
| Soggetto topico |
Chemical bonds
Surface chemistry |
| ISBN |
1-281-03451-7
9786611034511 0-08-055191-2 |
| Classificazione | VE 7000 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Front Cover; Chemical Bonding at Surfaces and Interfaces; Copyright Page; Table of Contents; Preface; Chapter 1 Surface Structure; 1. Why surface structure?; 2. Methods of surface adsorbate structure determination; 2.1. General comments; 2.2. Electron scattering; 2.3. X-ray scattering; 2.4. Ion scattering; 2.5. Spectroscopic methods and scanning probe microscopy; 3. Adsorbate-induced surface reconstruction; 4. Molecular adsorbates - local sites, orientations and intramolecular bondlengths; 4.1. General issues and the case of CO on metals; 4.2. Simple hydrocarbons on metals
4.3. Carboxylates on metals4.4. Other substrates: molecules on Si; 5. Chemisorption bondlengths; 5.1. Metal surfaces; 5.2. Oxide surfaces; 6. Conclusions; Chapter 2 Adsorbate Electronic Structure and Bonding on Metal Surfaces; 1. Introduction; 2. Probing the electronic structure; 3. Adsorbate electronic structure and chemical bonding; 4. Adsorbate systems; 5. Radical atomic adsorption; 5.1. The electronic structure of N on Cu(100); 5.2. Chemical bonding of atomic adsorbates; 6. Diatomic molecules; 6.1. N2 adsorbed on Ni(100); 6.2. CO adsorbed on Ni(100) 6.3. CO adsorbed on Cu(100) and other metals6.4. CO adsorbed in different sites; 6.5. Coadsorption of CO and K on Ni(100); 7. Unsaturated hydrocarbons; 7.1. Ethylene (C2H4) adsorbed on Ni(110) and Cu(110); 7.2. Benzene on Ni and Cu surfaces; 7.3. Bond energetics and rehybridization from spin-uncoupling; 8. Saturated hydrocarbons; 8.1. n-Octane adsorbed on Cu(110); 8.2. Difference between octane on Ni and Cu surfaces; 9. Lone pair interactions; 9.1. Water adsorption on Pt and Cu surfaces; 9.2. Adsorption of ammonia and the amino group in glycine on Cu(110); 10. Summary Chapter 3 The Dynamics of Making and Breaking Bonds at Surfaces1. Introduction; 2. Theoretical background; 2.1. Adiabatic dynamics (Born-Oppenheimer approximation); 2.2. Generic PES topologies; 2.3. Dynamics vs. kinetics; 2.3.1. Direct dissociation; 2.3.2. Precursor-mediated dissociation; 2.4. Detailed balance; 2.5. Lattice coupling; 2.5.1. Energy transfer in adsorption/scattering; 2.5.2. Lattice coupling in direct molecular dissociation; 2.6. Non-adiabatic dynamics; 2.6.1. Hot electrons from chemistry; 2.6.2. Chemistry from hot electrons; 3. Experimental background 3.1. Experimental techniques3.2. Typical measurements; 3.2.1. Rate measurements; 3.2.2. Adsorption-trapping and sticking; 3.2.3. Desorption; 3.2.4. Scattering; 3.2.5. Initial state preparation; 3.2.6. Photochemistry/femtochemistry; 3.2.7. Single molecule chemistry (STM); 4. Processes; 4.1. Atomic adsorption/desorption/scattering; 4.1.1. Ar/Pt(111); 4.1.2. H/Cu(111); 4.2. Molecular adsorption/desorption/scattering; 4.2.1. NO/Ag(111); 4.2.2. NO/Pt(111); 4.3. Direct dissociation/associative desorption; 4.3.1. Activated dissociation; 4.3.2. Weakly activated dissociation 4.3.3. Non-activated dissociation |
| Record Nr. | UNINA-9910810580803321 |
| Amsterdam ; ; Oxford, : Elsevier, 2008 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Chemical reactions in clusters [[electronic resource] /] / edited by Elliot R. Bernstein
| Chemical reactions in clusters [[electronic resource] /] / edited by Elliot R. Bernstein |
| Pubbl/distr/stampa | New York, : Oxford University Press, 1996 |
| Descrizione fisica | 1 online resource (272 p.) |
| Disciplina |
541.224
541.394 |
| Altri autori (Persone) | BernsteinE. R (Elliot R.) |
| Collana | Topics in physical chemistry |
| Soggetto topico |
Chemical reaction, Conditions and laws of
Microclusters Molecular dynamics |
| Soggetto genere / forma | Electronic books. |
| ISBN |
0-19-756059-8
1-280-52745-5 9786610527458 0-19-535821-X 1-4294-0039-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Contents; Contributors; 1. Theoretical Approaches to the Reaction Dynamics of Clusters; 2. Weakly Bound Molecular Complexes as Model Systems for Understanding Chemical Reactions; 3. Dynamics of Ground State Biomolecular Reactions; 4. Photochemistry of van der Waals Complexes and Small Clusters; 5. Intermolecular Dynamics and Biomolecular Reactions; 6. Reaction Dynamics in Femtosecond and Microsecond Time Windows: Ammonia Clusters as Paradigm; 7. Magic Numbers, Reactivity, and Ionization Mechanisms in Ar[sub(n)]X[sub(m)] Heteroclusters; Index; A; B; C; D; E; F; G; H; I; K; L; M; N; O; P; Q; R
ST; U; V; W; X |
| Record Nr. | UNINA-9910451497903321 |
| New York, : Oxford University Press, 1996 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
