05859cam a2200721Ii 4500 ocn861559351 OCoLC 20171105120129.0 m o d cr ||||||||||| 131026s2014 gw a ob 001 0 eng d 016449660 Uk 9783527658855 (electronic bk.) 3527658858 (electronic bk.) 9783527658824 3527658823 9783527658848 352765884X 9783527658831 3527658831 9783527332946 3527332944 9783527332946 9781306028875 1306028876 AU@ 000052334853 CHBIS 010131762 CHVBK 314709541 NZ1 15340121 DEBSZ 431544077 (OCoLC)861559351 (OCoLC)867078944 (OCoLC)891395987 (OCoLC)961543277 (OCoLC)962557665 534138 MIL EBLCP eng rda pn EBLCP IDEBK CUS OCLCQ N$T UKMGB YDXCP UKDOC IUL OCLCF OCLCQ E7B DEBSZ COO CDX RECBK OCLCQ MAIN QD471 SCI 013050 bisacsh 541.7 Antonov, Liudmil, editor. Tautomerism : methods and theories / edited by Liudmil Antonov. [electronic resource] Weinheim, Germany : Wiley-VCH, [2014] 1 online resource (xx, 377 pages) : illustrations text txt rdacontent computer c rdamedia online resource cr rdacarrier 3.5.2 Reaction Path Calculations and Energy Barriers for Proton Transfer. Includes bibliographical references (pages 395-403) and index. Tautomerism; Contents; Preface; List of Contributors; 1 Tautomerism: Introduction, History, and Recent Developments in Experimental and Theoretical Methods; 1.1 The Definition and Scope of Tautomerism: Principles and Practicalities; 1.2 Causes of Reversal in Tautomeric Form: Aromatic Resonance; 1.3 Causes of Reversal in Tautomeric Form: Lone-Pair and Dipolar Repulsion; 1.4 Causes of Reversal in Tautomeric Form: Selective Stabilization Through ""Far"" Intramolecular Hydrogen Bonding; 1.5 Changes in Tautomeric Form Brought About by Electronegative Substituents. 1.6 The Influence of Solvent on Tautomeric Form; 1.7 Tautomeric Equilibrium: Historical Overview of an Analytical Problem; 1.8 Short Historical Overview of Tautomerization Dynamics; 1.9 Conclusions and Outlook; References; 2 Absorption UV-vis Spectroscopy and Chemometrics: From Qualitative Conclusions to Quantitative Analysis; 2.1 Introduction; 2.2 Quantitative Analysis of Tautomeric Equilibria; 2.2.1 Classical Spectrophotometric Analysis, Limitations, and Early Attempts to Find a Solution; 2.2.2 Quantitative Analysis by Using Bands Decomposition. 2.2.3 Change in the Environment Affects the Equilibrium: Physical Meaning and Mathematical Expression; 2.3 Analysis of Real Tautomeric Systems; 2.3.1 Keto-Enol Tautomerism in 4-(phenyldiazenyl)naphthalen-1-ol: Solvent Effect; 2.3.2 Keto-Enol Tautomerism in 1-((phenylimino)methyl)naphthalen-2-ol: Verification of the Approach; 2.3.3 Keto-Enol Tautomerism in 1-(phenyldiazenyl)naphthalen-2-ol and 1-((phenylimino)methyl)naphthalen-2-ol: Effects of the Temperature and the Strength of Intramolecular Hydrogen Bonding. 2.3.4 Ammonium-Azonium Tautomerism in 4-((4-aminophenyl)diazenyl)-N, N-dimethylaniline: Effect of Protonation and Solvent; 2.4 Concluding Remarks; References; 3 Studies of Photoinduced NH Tautomerism by Stationary and Time-Resolved Fluorescence Techniques; 3.1 Introduction; 3.2 Photoinduced Proton/Hydrogen Atom Transfer; 3.2.1 Direct Intramolecular Proton Transfer Reactions; 3.2.2 Solvent-Mediated NH Tautomerism; 3.3 Fluorescence Techniques for Studying Tautomerism; 3.3.1 Steady-State Fluorescence Methods; 3.3.2 Time-Resolved Fluorescence Approaches. 3.3.3 Advanced Techniques in Fluorescence Spectroscopy; 3.3.3.1 Fluorescence Anisotropy; 3.3.3.2 Fluorescence Microscopy and Fluorescence Correlation Spectroscopy; 3.4 Tautomerism in Bifunctional NH/N Azaaromatics; 3.4.1 Intramolecular NH/N Tautomerization; 3.4.2 Intermolecular NH/N Tautomerization in Hydrogen-Bonded Dimers; 3.4.3 Tautomerization in Solute-Solvent Hydrogen-Bonded Complexes; 3.5 Ab initio and DFT Computational Methods; 3.5.1 Reaction Mechanisms and Cooperativity in Proton Migrations; 3.5.1.1 Concerted versus Stepwise Mechanism. "Covering the gap between basic textbooks and over-specialized scientific publications, this is the first reference available to describe this interdisciplinary topic for PhD students and scientists starting in the field. The result is an introductory description providing suitable practical examples of the basic methods used to study tautomeric processes, as well as the theories describing the tautomerism and proton transfer phenomena. It also includes different spectroscopic methods for examining tautomerism, such as UV-VIs, time-resolved fluorescence spectroscopy, and NMR spectroscopy."--Publisher's website. Online resource; title from PDF title page (Wiley, viewed November 12, 2013). Tautomerism. SCIENCE Chemistry Physical & Theoretical. bisacsh Tautomerism. fast (OCoLC)fst01143591 Science. ukslc Electronic books. Electronic books. Print version: Antonov, Liudmil. Tautomerism : Methods and Theories. Hoboken, N.J. : Wiley, ©2013 9783527332946 (OCoLC)852808613 http://onlinelibrary.wiley.com/book/10.1002/9783527658824 Wiley Online Library ddc BK 207050 207050