Tautomerism : concepts and applications in science and technology / edited by Liudmil Antonov.

Format:

Book

Contributor:

Antonov, Liudmil, editor.

Language:

English

Subjects (All):

Tautomerism.

Physical Description:

1 online resource (485 p.)

Edition:

1st ed.

Place of Publication:

Weinheim, Germany : Wiley-VCH Verlag GmbH & Company KGaA, [2016]

Summary:

Reflecting the substantially increased interest in tautomerism, this book demonstrates the transformation of fundamental knowledge into novel concepts and the latest applications. Each chapter introduces the theoretical background, before reviewing and critically discussing the experimental techniques and corresponding applications. Special emphasis is placed on tautomerism under unusual conditions, such as in supramolecular solids and at surfaces, displaying the wide scope between basic research and timely applications.

Contents:

Related Titles; Title Page; Copyright; Table of Contents; List of Contributors; Preface; References; Chapter 1: Tautomerism: A Historical Perspective; 1.1 Thermodynamic Aspects; 1.2 Kinetic Aspects; 1.3 Conclusions; References; Chapter 2: "Triage" for Tautomers: The Choice between Experiment and Computation; 2.1 Introduction (Original Text Written by Peter J. Taylor); 2.2 cis-Amides; 2.3 Tautomerism in Alicyclic Lactams: Six-Membered Rings; 2.4 Tautomerism in Alicyclic Lactams: 2-Pyrrolidinone; 2.5 Tautomerism in Other Five-Membered Ring Lactams

2.6 Tautomeric Ratios Requiring Computation: Alicyclic β-Diketones2.7 Tautomeric Ratios Requiring Computation: "Maleic Hydrazide"; 2.8 Tautomer Ratios Requiring Computation: 2-Oxo Derivatives of Pyrrole, Furan, and Thiazole; 2.9 Tautomeric Ratios Requiring Computation: Compounds Containing Contiguous Carbonyl Groups; 2.10 Tautomeric Ratios Requiring Computation: Compounds Containing Contiguous π-Donors; 2.11 Compounds Equally Suited to Experiment or Computation: "Azapentalenes"; 2.12 Phenomena Susceptible to Experiment or Computation: Lone Pair Effects

2.13 Conformational Effects on Aminoenone Stability: A Computational Approach2.14 Overview (Original Text Written by Peter J. Taylor); References; Chapter 3: Methods to Distinguish Tautomeric Cases from Static Ones; 3.1 Introduction; 3.2 The Liquid State; 3.3 UV/VIS Spectroscopy; 3.4 Infra Red Spectroscopy; 3.5 Tautomerism in the Excited State; 3.6 Near-Edge X-Ray; 3.7 Energy-Dispersive X-Ray; 3.8 Solid State; 3.9 Single Molecule Tautomerization; 3.10 Gas Phase; 3.11 Theoretical Calculations; References; Chapter 4: Electron-Transfer-Induced Tautomerizations; 4.1 Introduction; 4.2 Methodology

4.3 O-Alkyl Phenyl Ketones4.4 Conclusions; Acknowledgments; References; Chapter 5: The Fault Line in Prototropic Tautomerism; 5.1 Introduction: "N-Type" and "C-Type" Tautomerism; 5.2 Tautomerism in Symmetrical Amidines; 5.3 Tautomer Ratio in Asymmetric Heteroaromatic Amidines; 5.4 Tautomer Ratio in the Imine-Enamine System: Substitution at Nitrogen; 5.5 Tautomer Ratio in the Imine-Enamine System: Substitution at Carbon; 5.6 The Resonance Contribution to Ketone and Amide Tautomerism; 5.7 The Field-Resonance Balance in Vinylogous Heteroaromatic Amidines; 5.8 Conclusions; References

Chapter 6: Theoretical Consideration of In-Solution Tautomeric Equilibria in Relation to Drug Design6.1 Introduction; 6.2 Methodology; 6.3 Equilibration Mechanism; 6.4 Relation to Drug Design; 6.5 In-solution Equilibrium Calculations; 6.6 Concluding Remarks; References; Chapter 7: Direct Observation and Control of Single-Molecule Tautomerization by Low-Temperature Scanning Tunneling Microscopy; 7.1 Brief Introduction to STM; 7.2 Direct Observation of Single-Molecule Tautomerization Using STM; 7.3 Concluding Remarks; Acknowledgments; References

Chapter 8: Switching of the Nonlinear Optical Responses of Anil Derivatives: From Dilute Solutions to the Solid State

Notes:

Description based upon print version of record.

Includes bibliographical references and index.

Description based on online resource; title from PDF title page (ebrary, viewed April 7, 2016).

ISBN:

9783527695713

3527695710

9783527695744

3527695745

9783527695720

3527695729

OCLC:

945873897