Preface
TAUTOMERISM: INTRODUCTIN, HISTORY, AND RECENT DEVELOPMENTS IN
EXPERIMENTAL AND THEORETICAL METHODS
The Definition and Scope of Tautomerism: Principles and
Practicalities
Causes of Reversal in Tautomeric Form: Aromatic Resonance
Causes of Reversal in Tautomeric Form: Lone-Pair and Dipolar
Repulsion
Causes of Reversal in Tautomeric Form: Selective Stabilization
Through "Far" Intramolecular Hydrogen Bonding
Changes in Tautomeric Form Brought About by Electronegative
Substituents
The Influence of Solvent on Tautomeric Form
Tautomeric Equilibrium: Historical Overview of an Analytical
Problem
Short Historical Overview of Tautomerization Dynamics
Conclusions and Outlook
ABSORPTION UV-vis SPECTROSCOPY AND CHEMOMETRICS: FROM QUALITATIVE
CONCLUSIONS TO QUANTITATIVE ANALYSIS
Introduction
Quantitative Analysis of Tautomeric Equilibria
Analysis of Real Tautomeric Systems
Concluding Remarks
STUDIES OF PHOTOINDUCED NH TAUTOMERISM BY STATIONARY AND
TIME-RESOLVED FLUORESCENCE TECHNIQUES
Introduction
Photoinduced Proton/Hydrogen Atom Transfer
Fluorescence Techniques for Studying Tautomerism
Tautomerism in Bifunctional NH/N Azaaromatics
Ab initio and DFT Computational Methods
NH Tautomerism as a Tool in Biophysics
Concluding Remarks
FEMTOSECOND PUMP-PROBE SPECTROSCOPY OF PHOTOINDUCED TAUTOMERISM
Introduction
Ultrafast Pump-Probe Spectroscopy
Dynamics from Pump-Probe Spectroscopy
Reaction Mechanism
Reaction-Path-Specific Wavepacket Dynamics in Double ESIPT
Internal Conversion
Summary and Conclusions
NMR SPECTROSCOPY STUDY OF TAUTOMERISM IN SOLUTION AND IN THE SOLID
STATE
Introduction
Methodologies of NMR Spectroscopy to Study Tautomerism
Types of Tautomerism Studied by NMR Spectroscopy
Conclusions and Outlook
ISOTOPE EFFECTS ON CHEMICAL SHIFTS AS A TOOL IN THE STUDY OF
TAUTOMERIC EQUILIBRIA
Introduction
Experimental Requirements
Isotope Effects on Chemical Shifts
Secondary Equilibrium Isotope Effects on CS
Primary Isotope Effects
Solid State
Theoretical Calculations
Examples
Overview
TAUTOMER-SELECTIVE SPECTROSCOPY OF NUCLEOBASES, ISOLATED IN THE GAS
PHASE
Introduction
Techniques
Guanine
Adenine
Cytosine
Uracil and Thymine
Base Pairs
Outlook
DIRECT EVIDENCE OF SOLID-STATE TAUTOMERISM BY DIFFRACTION METHODSD:
ISOMERS, EQUILIBRIA, AND KINETICS
Application of X-Ray Diffraction to Study Tautomerism
Examples of X-Ray Diffraction Analysis of Proton Transfer
Other Diffraction Methods Used to Study Proton Transfer
Reactions
DYNAMICS OF GROUND- AND EXCITED-STATE INTRAMOLECULAR PROTON
TRANSFER REACTIONS
Introduction
Transition State Theory
Two Examples of Tautomerization
The Role of the Solvent
Solvent Friction and Solvent Dynamics
The Solvent Coordinate: Basics
Polarization Fluctuations
The Solvent Coordinate: An Application
Electronic Rearrangement
The Rug that Ties the (Classical) Room Together
Quantum and Classical
Quantum Decay
Coupling Quantum and Classical Motion: A Simple Example
Nonlinear Optics
Femtochemistry
Concluding Remarks
FORCE FIELD TREATMENT OF PROTON AND HYDROGEN TRANSFER IN MOLECULAR
SYSTEMS
Introduction
Computational Approaches to Proton Transfer
Proton Transfer Reactions with MMPT
Applications of MMPT
Discussion and Outlook
THE SCOPE AND LIMITATIONS OF LSER IN THE STUDY OF TAUTOMER
RATIO
Introduction
The Taft-Kamlet LSER Methodology
LSER Case Histories in the Field of Tautomerism
Overview
THE "BASICITY METHOD" FOR ESTIMATING TAUTOMER RATIO: A RADICAL
RE-APPRAISAL
Introduction
Experimental Protocol
The Derivation of Correction Factors
Regularities Revealed by Correction Factors
Complicating Factors in the Use of the "Basicity Method"
Tautomeric Problems to Which the "Basicity Method" Is
Inapplicable
Overview
QUANTUM CHEMICAL CALCULATION OF TAUTOMERIC EQUILIBRIA
Introduction
Computational Procedures
Solvent Effects
Applications of Quantum Chemical Methods to Tautomeric
Equilibria
Concluding Remarks
Index
Liudmil Antonov is a Professor of Analytical and Physical Organic Chemistry at Bulgarian Academy of Sciences. Having obtained MSc (1989) and PhD (1994) degree from University of Sofia, he spent 1 year at Tokyo Institute of Technology before taking an appointment at University of Forestry (UF) in Sofia. In 1998 he was appointed as youngest in Bulgaria Associated Professor in Analytical Chemistry and from 1999 to 2002 headed the Department of Chemistry UF. After stays at AIST (Japan, 2002, 2006) as JSPS Fellow and at Humboldt University of Berlin (2003-2004) as Alexander von Humboldt Fellow and work for European Commission as reviewer and panel member (Directorate General for Research, 2001-2005) he joined Bulgarian Academy of Sciences in 2007. He has authored 83 research papers in the fields of tautomerism, dye chemistry, new materials, chemometrics, and instrumental analysis, cited over 1200 times.
![]() |
Ask a Question About this Product More... |
![]() |