Advances in Physical Organic Chemistry - 1st Edition - ISBN: 9780128002568, 9780128004494

Advances in Physical Organic Chemistry, Volume 48

1st Edition

Serial Editors: Ian Williams Nick Williams
eBook ISBN: 9780128004494
Hardcover ISBN: 9780128002568
Imprint: Academic Press
Published Date: 7th November 2014
Page Count: 386
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Table of Contents

  • Advisory Board
  • Preface
  • Chapter One. Is the Single-Transition-State Model Appropriate for the Fundamental Reactions of Organic Chemistry? Experimental Methods and Data Treatment, Pertinent Reactions, and Complementary Computational Studies
    • 1. Introduction
    • 2. Kinetic Methods to Differentiate between Single-Step and Complex Mechanisms
    • 3. SN2 Reactions in the Gas Phase and in Solution
    • 4. Proton Transfer Reactions of Simple and Aryl Nitroalkanes in Solution and in the Gas Phase
    • 5. Hydride Transfer Reactions of NADH/NAD+ Model and Related Systems
    • 6. Computation Studies of Electrophilic Aromatic Substitution
    • 7. Conclusions
  • Chapter Two. The Influence of Structure on Reactivity in Alkene Metathesis
    • 1. Introduction
    • 2. Initiation of Metathesis Precatalysts
    • 3. The Effects of Substrate Structure on Reactivity
    • 4. Tools for Studying Catalytic Metathesis
    • 5. Summary and Outlook
  • Chapter Three. In This Molecule There Must Be a Conical Intersection
    • 1. Introduction
    • 2. Introduction to Qualitative VB Theory
    • 3. Understanding Conical Intersections Using VB Theory: 4 Orbitals with 4 Electrons and 3 Orbitals with 3 Electrons
    • 4. Understanding 6 Orbitals with 6 Electrons Conical Intersections: Benzene Photochemistry
    • 5. Other n Orbital with n Electrons Conical Intersections
    • 6. Qualitative VB Analysis of Conical Intersections Involving Charge Transfer, Lone Pairs and Proton Transfer
    • 7. Conclusions
  • Chapter Four. Structure and Mechanism in Ketene Chemistry
    • 1. Introduction
    • 2. Substituent Effects on Ketene Stability and Reactivity
    • 3. Preparation of Ketenes
    • 4. Ketene Reactions
    • 5. Conclusion
  • Subject Index
  • Author Index
  • Cumulative Index of Titles
  • Cumulative Index of Authors
  • Color Plates


Advances in Physical Organic Chemistry provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry. The field is a rapidly developing one, with results and methodologies finding application from biology to solid-state physics.

Key Features

  • Reviews the application of quantitative and mathematical methods toward understanding chemical problems
  • Covers organic, organometallic, bioorganic, enzymes and materials topics


Those interested in the relationship between the structure and function of organic compounds, including physical and theoretical chemists as well as organic and bioorganic chemists


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© Academic Press 2014
Academic Press
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Ratings and Reviews

About the Serial Editors

Ian Williams Serial Editor

Ian Williams has been Professor of Theoretical Organic Chemistry at the University of Bath since 1995. He has many years’ experience in the application of computational methods to the study of problems in physical organic chemistry. Born in Bournemouth, England, he studied at the University of Sheffield and gained his PhD under the supervision of James McKenna. He then spent two years in Richard Schowen’s laboratory at the University of Kansas, five years as a Royal Society Pickering Research Fellow at Cambridge in the sub-group of Theoretical Chemistry, and four years as an EPSRC Advanced Fellow in Bristol. Since his first appointment at Bath in 1989, he has taught physical organic and computational chemistry to all years of the Chemistry programmes and is currently a Director of Studies. His research uses computational modelling and simulation as tools to aid the interpretation of experimental observations, and he has published on a broad range of topics from atmospheric chemistry to enzyme mechanisms. A past Chair of the Royal Society of Chemistry Theoretical Chemistry Group and UK representative on the EuCheMS Division of Computational Chemistry, he now serves on the IUPAC Subcommittee on Structural and Mechanistic Chemistry, which has responsibility for the ICPOC international conferences on physical organic chemistry, and he chaired ICPOC21 in the UK. He is no relation to the other Co-Editor of Advances in Physical Organic Chemistry!

Affiliations and Expertise

University of Bath, UK

Nick Williams Serial Editor

Nick Williams has been Professor of Physical Organic Chemistry at the University of Sheffield since 2011. He has many years experience in experimental studies that are focused on understanding mechanism and reactivity in organic chemistry. He studied for his first degree at the University of Cambridge, where he stayed for his PhD under the supervision of Tony Kirby. After a further short post doctoral period and a position as temporary lector in organic chemistry at Trinity College, Cambridge, he spent two years at McGill University in the laboratory of Jik Chin as a Royal Society/NSERC research fellow. He was appointed to a lectureship in Sheffield in 1996, where he has remained since, and has taught physical organic chemistry at all undergraduate levels and is currently Chair of the Curriculum Committee. His research involves the design, synthesis and analysis of organic and inorganic compounds to dissect and quantify contributions to reactivity and catalysis. This has been particularly focused on biologically relevant reactions and artificial models that functionally mimic natural systems, but has embraced topics as diverse as light induced surface patterning and transmembrane signaling. He has been a past chair of the Royal Society of Chemistry Organic Reaction Mechanisms Committee (renamed the Physical Organic Group at the end of his tenure) and took a particular effort to provide events to nurture the younger physical organic chemistry community. He is not related to the other Co-Editor of Advances in Physical Organic Chemistry!

Affiliations and Expertise

University of Sheffield, UK