Free Delivery Over $100
|
|
|||
|
||||
OverviewChemistry is the science of substances (today we would say molecules) and their transformations. Central to this science is the complexity of shape and function of its typical representatives. There lies, no longer dependent on its vitalistic antecedents, the rich realm of molecular possibility called organic chemistry. In this century we have learned how to determine the three-dimensional structure of molecules. Now chemistry as whole, and organic chemistry in particular, is poised to move to the exploration of its dynamic dimension, the busy business of transformations or reactions. Oh, it has been done all along, for what else is synthesis? What I mean is that the theoretical framework accom panying organic chemistry, long and fruitfully laboring on a quantum chemical understanding of structure, is now making the first tentative motions toward building an organic theory of reactivity. The Minkin, Simkin, Minyaev book takes us in that direction. It incorporates the lessons of frontier orbital theory and of Hartree-Fock SCF calculations; what chemical physicists have learned about trajectory calculations of selected reactions, and a simplified treatment of all-important solvent effects. It is written by professional, accomplished organic chemists for other organic chemists; it is consistently even-toned in its presentation of contending approaches. And very much up to date. That this contemporary work should emerge from a regional university in a country in which science has been highly centralized and organic chemistry not very modern, invites reflection. Full Product DetailsAuthor: Vladimir I. Minkin , Boris Ya. Simkin , Ruslan M. MinyaevPublisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Imprint: Springer-Verlag Berlin and Heidelberg GmbH & Co. K Edition: Softcover reprint of the original 1st ed. 1990 Dimensions: Width: 15.50cm , Height: 1.50cm , Length: 23.50cm Weight: 0.441kg ISBN: 9783642756818ISBN 10: 3642756816 Pages: 270 Publication Date: 08 December 2011 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of Contents1 Potential Energy Surfaces of Chemical Reactions.- 1.1 Introduction. Mechanism of Chemical Reaction and Quantum Chemistry.- 1.2 Choice of a Coordinate System and the Representation of a PES.- 1.3 Topography of the PES and Properties of a Reacting System.- 1.4 Dynamic Approach.- 1.5 Tunnelling Effects in Chemical Reactions.- 1.6 Description of Nonadiabatic Reactions.- References.- 2 Quantum Chemical Methods for Calculating Potential Energy Surfaces.- 2.1 General Requirements upon the Methods for Calculating Potential Energy Surfaces.- 2.2 Nonempirical (ab initio) Methods. The Hartree-Fock Method.- 2.3 Semiempirical Methods.- References.- 3 Effects of the Medium.- 3.1 A General Scheme for Calculating the Solvation Effects.- 3.2 Macroscopic Approximation.- 3.3 Discrete Representation of Solvent Molecules. Model Hamiltonians in the Microscopic Approximation.- 3.4 Specific Features of the Supermolecular Approach in Studies of Solvation Effects.- 3.5 Statistical Methods for Studying Solutions.- References.- 4 Orbital Interactions and the Pathway of a Chemical Reaction.- 4.1 The Role of Frontier Orbitals.- 4.2 Theory of Orbital Interactions.- 4.3 Components of the Interaction Energy of a Reacting System in a Transition State.- 4.4 Isolobal Analogy.- References.- 5 Substitution Reaction.- 5.1 Nucleophilic Substitution at a Tetrahedral Carbon Atom.- 5.2 Electrophilic Substitution at the Tetrahedral Carbon Atom.- 5.3 Nucleophilic Substitution at the Carbon Atom of the Carbonyl Group.- 5.4 Aromatic Electrophilic Substitution Reactions.- 5.5 Nucleophilic Substitution at the Nitrogen, Phosphorus, and Sulfur Centers.- References.- 6 Addition Reactions.- 6.1 Electrophilic Additions to Multiple Bonds.- 6.2 Nucleophilic Addition to Alkenes.- 6.3 Nucleophilic Addition to a Triple Bond.- References.- 7 Low-Energy Barrier Reactions. Structural Modelling.- 7.1 The Principle of Correspondence Between Structures of the Initial and the Transition State of Reaction.- 7.2 Nucleophilic Rearrangements and Tautomerizations.- 7.3 Cyclization Reactions.- 7.4 Topochemical Reactions.- References.- 8 Radical Reactions.- 8.1 Specific Features of the Theoretical Analysis of Radical Reactions.- 8.2 Free-Radical Reactions.- 8.3 Reactions with Formation of Biradicals.- 8.4 The Reactions of Carbenes.- References.- 9 Electron and Proton Transfer Reactions.- 9.1 Electron Transfer Reactions.- 9.2 Proton Transfer Reactions.- References.- 10 Pericyclic Reactions.- 10.1 Reactions of Cycloaddition.- 10.2 Electrocyclic Reactions.- 10.3 Sigmatropic Rearrangements.- 10.4 Haptotropic Rearrangements.- 10.5 Ion-Radical Pericyclic Reactions.- References.- List of Abbreviations.ReviewsAuthor InformationTab Content 6Author Website:Countries AvailableAll regions |
||||
