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1. |
Record Nr. |
UNINA990006240970403321 |
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Autore |
Comunità europea |
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Titolo |
Code des Communautes Europeennes / Comunità economica europea ; a cura di G. Pasetti e A. Trabucchi ; avec la collaboration de A. Miele |
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Pubbl/distr/stampa |
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Descrizione fisica |
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Disciplina |
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Locazione |
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Collocazione |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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2. |
Record Nr. |
UNINA9910815525803321 |
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Autore |
Magnasco Valerio |
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Titolo |
Models for bonding in chemistry / / Valerio Magnasco |
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Pubbl/distr/stampa |
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ISBN |
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9786612773129 |
9781282773127 |
1282773127 |
9781119957348 |
1119957346 |
9781119971986 |
1119971985 |
9780470669754 |
0470669756 |
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Edizione |
[2nd ed.] |
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Descrizione fisica |
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1 online resource (234 p.) |
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Disciplina |
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Soggetti |
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Chemical bonds |
Molecular structure - Mathematical models |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and index. |
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Nota di contenuto |
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Models for Bonding in Chemistry; Contents; Preface; 1 Mathematical Foundations; 1.1 MATRICES AND SYSTEMS OF LINEAR EQUATIONS; 1.2 PROPERTIES OF EIGENVALUES AND EIGENVECTORS; 1.3 VARIATIONAL APPROXIMATIONS; 1.4 ATOMIC UNITS; 1.5 THE ELECTRON DISTRIBUTION IN MOLECULES; 1.6 EXCHANGE-OVERLAP DENSITIES AND THE CHEMICAL BOND; Part 1: Short-range Interactions; 2 The Chemical Bond; 2.1 AN ELEMENTARY MOLECULAR ORBITAL MODEL; 2.2 BOND ENERGIES AND PAULI REPULSIONS IN HOMONUCLEAR DIATOMICS; 2.2.1 The Hydrogen Molecular Ion H+2 (N = 1); 2.2.2 The Hydrogen Molecule H2 (N = 2) |
2.2.3 The Helium Molecular Ion He+2 (N = 3)2.2.4 The Helium Molecule He2 (N = 4); 2.3 MULTIPLE BONDS; 2.3.1 s2p2 Description of the Double Bond; 2.3.2 B 2 1 B 2 2 Bent (or Banana) Description of the Double Bond; 2.3.3 Hybridization Effects; 2.3.4 Triple Bonds; 2.4 THE THREE-CENTRE DOUBLE BOND IN DIBORANE; 2.5 THE HETEROPOLAR BOND; 2.6 STEREOCHEMISTRY OF POLYATOMIC MOLECULES; 2.6.1 The Molecular Orbital Model of Directed Valency; 2.6.2 Analysis of the MO Bond Energy; 2.7 sp-HYBRIDIZATION EFFECTS IN FIRST-ROW HYDRIDES; 2.7.1 The Methane Molecule; 2.7.2 The Hydrogen Fluoride Molecule |
2.7.3 The Water Molecule2.7.4 The Ammonia Molecule; 2.8 DELOCALIZED BONDS; 2.8.1 The Ethylene Molecule; 2.8.2 The Allyl Radical; 2.8.3 The Butadiene Molecule; 2.8.4 The Cyclobutadiene Molecule; 2.8.5 The Benzene Molecule; 2.9 APPENDICES; 2.9.1 The Second Derivative of the H€uckel Energy; 2.9.2 The Set of Three Coulson's Orthogonal Hybrids; 2.9.3 Calculation of Coefficients of Real MOs for Benzene; 3 An Introduction to Bonding in Solids; 3.1 THE LINEAR POLYENE CHAIN; 3.1.1 Butadiene N = 4; 3.2 THE CLOSED POLYENE CHAIN; 3.2.1 Benzene N = 6; 3.3 A MODEL FOR THE ONE-DIMENSIONAL CRYSTAL |
3.4 ELECTRONIC BANDS IN CRYSTALS3.5 INSULATORS, CONDUCTORS, SEMICONDUCTORS AND SUPERCONDUCTORS; 3.6 APPENDIX: THE TRIGONOMETRIC IDENTITY; Part 2: Long-Range Interactions; 4 The van der Waals Bond; 4.1 INTRODUCTION; 4.2 ELEMENTS OF RAYLEIGH-SCHRÖDINGER (RS) PERTURBATION THEORY; 4.3 MOLECULAR INTERACTIONS; 4.3.1 Non-expanded Energy Corrections up to Second Order; 4.3.2 Expanded Energy Corrections up to Second Order; 4.4 THE TWO-STATE MODEL OF LONG-RANGE INTERACTIONS; 4.5 THE van der WAALS INTERACTIONS; 4.5.1 Atom-Atom Dispersion; 4.5.2 Atom-Linear Molecule Dispersion |
4.5.3 Atom-Linear Dipolar Molecule10 Induction4.6 THE C6 DISPERSIONCOEFFICIENT FOR THE H-H INTERACTION; 4.7 THE van der WAALS BOND; 4.8 THE KEESOM INTERACTION; 5 The Hydrogen Bond; 5.1 A MOLECULAR ORBITAL MODEL OF THE HYDROGEN BOND; 5.2 ELECTROSTATIC INTERACTIONS AND THE HYDROGEN BOND; 5.2.1 The Hydrogen Fluoride Dimer (HF)2; 5.2.2 The Water Dimer (H2O)2; 5.3 THE ELECTROSTATIC MODEL OF THE HYDROGEN BOND; 5.4 THE Rg-HF HETERODIMERS; References; Author Index; Subject Index |
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Sommario/riassunto |
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A readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry. Starting with a short, self-contained,introduction, Chapter 1 presents the essential elements of the variation approach to either total or second-order molecular energies, the system of atomic units (au) necessary to simplify all mathematical expressions, and an introductory |
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description of the electron distribution in molecules. Using mostly 2x2 Hückel secular equations, Chapter 2, by far the largest part of the book because of the many implicat |
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