Advances in physical organic chemistry. Volume 52 /

• Άλλοι συγγραφείς: Williams, Ian (Επιμελητής έκδοσης), Williams, Nick (Επιμελητής έκδοσης)
• Μορφή: Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: London, United Kingdom : Academic Press, 2018.
• Σειρά: Advances in Physical Organic Chemistry Ser.
• Θέματα: Physical organic chemistry.; SCIENCE > Chemistry > Organic.; Fisico-Quimica (Organica); Electronic books.

Πίνακας περιεχομένων:

• Front Cover; Advances in Physical Organic Chemistry; Copyright; Contents; Contributors; Preface; Chapter One: The Conundrum of the (C4H7)+ Cation: Bicyclobutonium and Related Carbocations; 1. Introduction; 1.1. Early Studies; 1.2. Terminology; 1.3. Kinetic Isotope Effects; 1.4. Gas-Phase Studies; 1.5. Vibrational Spectroscopy; 1.6. Structures and Equilibrium of Bicyclobutonium and Cyclopropylmethyl Cations; 1.7. NMR Spectroscopic Investigations; 1.8. EIEs on NMR Spectra of Fast-Rearranging (C4H7)+ Cations; 1.9. Quantum-Chemical Calculations of EIEs in (C4H7)+ Cations.
• 1.9.1. The Size and the Direction of the EIEs1.9.2. Population of the Equilibrating Sites; 1.9.3. The Size of the EIE; 1.9.4. The EIE-Induced Direction of the NMR Chemical Shifts of the Averaged Methylene Signals; 1.9.5. Quantum-Chemical Calculations for the (C4H7)+ Cation System; 2. Substituted (C4H7)+ Carbocations; 2.1. Fast-Equilibrating Substituted Bicyclobutonium Ions; 2.1.1. Solvolysis Results of Substituted Cyclobutyl Derivatives; 2.2. NMR Spectroscopic and Computational Investigations of Substituted (C4H7)+ Cations; 2.2.1. 1-Methyl-Bicyclobutonium Cation.
• 2.2.2. The 1-(Trimethylsilyl)Bicyclobutonium Ion2.3. EIEs in Substituted Cyclopropylmethyl and Substituted Cyclobutyl Cations; 2.4. Static Substituted Bicyclobutonium Ions; 2.5. Spin-Spin Coupling Constants; 2.6. 1,3-Disubstituted Static Bicyclobutonium Ions; 3. Conclusion; References; Chapter Two: Organic Reaction Outcomes in Ionic Liquids; 1. Introduction; 1.1. Scope of This Review; 1.2. Ionic Liquids: Common Structures and Nomenclature; 2. Understanding Reaction Outcomes in Ionic Liquids: Key Milestones; 2.1. Not All Ionic Liquids Are Created Equal.
• 2.2. The Importance of the Proportion of the Ionic Liquid in the Reaction Mixture2.3. Understanding the Microscopic Origins of Ionic Liquid Effects; 2.4. Correlating Reaction Outcomes With Solvent Parameters; 3. Opportunities Delivered by the Understanding Gained; 3.1. Extending the Knowledge to Other Systems; 3.2. Rational Design of an Ionic Liquid Solvent; 3.3. Biasing Product Selectivity; 4. Summary and Outlook; Acknowledgments; References; Chapter Three: Polymer Mechanochemistry: A New Frontier for Physical Organic Chemistry; 1. Introduction.
• 2. A Quantitative Model of Mechanochemical Kinetics2.1. Approximate Solutions of the Master Equation of Mechanochemical Kinetics; 2.1.1. Zeroth-Order Approximation: The EB Model; 2.1.2. First-Order Approximation: Tilted Potential Energy Surface (TPES) and Cusp Models; 2.1.3. Second-Order and Complete Harmonic Approximations; 2.2. Accuracy of the Conventional Approximations and Systematic Strategies of Improving Them; 2.3. Complicating Factors: Ensemble Effects, the Minimum Length of the Macromolecular Segment, Multibarrier Reactions, an ...