Perspectives on Structure and Mechanism in Organic Chemistry

Detalles Bibliográficos
Autor principal: Carroll, Felix A.
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Newark : John Wiley & Sons, Incorporated, 2010.
Colección:New York Academy of Sciences Ser.
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Cover
  • Title Page
  • Copyright Page
  • Contents
  • Preface
  • Acknowledgments
  • Introduction
  • Chapter 1 Fundamental Concepts of Organic Chemistry
  • 1.1 Atoms and Molecules
  • Fundamental Concepts
  • Molecular Dimensions
  • 1.2 Heats of Formation and Reaction
  • Experimental Determination of Heats of Formation
  • Bond Increment Calculation of Heats of Formation
  • Group Increment Calculation of Heats of Formation
  • Homolytic and Heterolytic Bond Dissociation Energies
  • 1.3 Bonding Models
  • Electronegativity and Bond Polarity
  • Complementary Theoretical Models of Bonding
  • Symmetric, Asymmetric, Dissymmetric, and Nondissymmetric Molecules
  • Designation of Molecular Configuration
  • Fischer Projections
  • Additional Stereochemical Nomenclature
  • 2.3 Manifestations of Stereoisomerism
  • Optical Activity
  • Configuration and Optical Activity
  • Other Physical Properties of Stereoisomers
  • 2.4 Stereotopicity
  • Stereochemical Relationships of Substituents
  • Chirotopicity and Stereogenicity
  • Problems
  • Chapter 3 Conformational Analysis and Molecular Mechanics
  • 3.1 Molecular Conformation
  • 3.2 Conformational Analysis
  • Torsional Strain
  • van der Waals Strain
  • Angle Strain and Baeyer Strain Theory
  • Application of Conformational Analysis to Cycloalkanes
  • Conformational Analysis of Substituted Cyclohexanes
  • 3.3 Molecular Mechanics
  • 3.4 Molecular Strain and limits to Molecular Stability
  • Problems
  • Chapter 4 Applications of Molecular Orbital Theory and Valence Bond Theory
  • 4.1 Introduction to Molecular Orbital Theory
  • Huckel Molecular Orbital Theory
  • Correlation of Physical Properties with Results of HMO Calculations
  • Other Parameters Generated Through HMO Theory
  • Properties of Odd Alternant Hydrocarbons
  • The Circle Mnemonic
  • 4.2 Aromaticity
  • Benzene
  • Aromaticity in Small Ring Systems
  • Larger Annulenes
  • Dewar Resonance Energy and Absolute Hardness
  • 4.3 Contemporary Computational Methods
  • Extended Hückel Theory
  • Perturbational Molecular Orbital Theory
  • Atoms in Molecules
  • Density Functional Theory
  • 4.4 Valence Bond Theory
  • Resonance Structures and Resonance Energies
  • Choosing a Computational Model
  • Problems
  • Chapter 5 Reactive Intermediates
  • 5.1 Reaction Coordinate Diagrams
  • 5.2 Radicals
  • Early Evidence for the Existence of Radicals
  • Detection and Characterization of Radicals

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