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(Ebook PDF) Models for Bonding in Chemistry 1st Edition by Valerio Magnasco 0470667036 9780470667033 Full chapter

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Models for Bonding in Chemistry 1st Edition Valerio Magnasco Digital Instant Download

Author(s): Valerio Magnasco
ISBN(s): 9780470667033, 0470667036
Edition: 1
File Details: PDF, 2.12 MB
Year: 2010
Language: english
SKU: EB-2024236 Category: Tag:

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ISBN 10:         0470667036
ISBN 13: 978-0470667033
Author:          Valerio Magnasco

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 description of the electron distribution in molecules. Using mostly 2×2 Hückel secular equations, Chapter 2, by far the largest part of the book because of the many implications of the chemical bond, introduces a model of bonding in homonuclear and heteronuclear diatomics, multiple and delocalized bonds in hydrocarbons, and the stereochemistry of chemical bonds in polyatomic molecules, in a word, a model of the strong first-order interactions originating the chemical bond. In Chapter 3 the Hückel model of the linear polyene chain is used to explain the origin of band structure in the 1-dimensional crystal. Chapter 4 deals with a simple two-state model of weak interactions, introducing the reader to understand second-order electric properties of molecules and VdW bonding between closed shells. Lastly, Chapter 5 studies the structure of H-bonded dimers and the nature of the hydrogen bond, which has a strength intermediate between a VdW bond and a weak chemical bond. Besides a qualitative MO approach based on HOMO-LUMO charge transfer from an electron donor to an electron acceptor molecule, a quantitative electrostatic approach is presented yielding an electrostatic model working even at its simplest pictorial level. A list of alphabetically ordered references, author and subject indices complete the book.

Models for Bonding in Chemistry 1st Table of contents:

  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 H₂⁺ (N=1)
    • 2.2.2 The Hydrogen Molecule H₂ (N=2)
    • 2.2.3 The Helium Molecular Ion He₂⁺ (N=3)
    • 2.2.4 The Helium Molecule He₂ (N=4)
  • 2.3 Multiple Bonds
    • 2.3.1 σ²π² Description of the Double Bond
    • 2.3.2 B₁₂B₂₂ 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 Molecule
    • 2.7.4 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 Hückel Energy
    • 2.9.2 The Set of Three Coulson Orthogonal Hybrids
    • 2.9.3 Calculation of Coefficients of Real MOs for Benzene
  1. 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 Crystals
    • 3.5 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 Molecule Induction
  • 4.6 The C₆ Dispersion Coefficient for the H–H Interaction
  • 4.7 The van der Waals Bond
  • 4.8 The Keesom Interaction
  1. 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

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