Physical Organic Chemistry - 3 (eBook)

Plenary Lectures Presented at the Third IUPAC Conference on Physical Organic Chemistry, Montpellier, France, 6 - 10 September, 1976

A. Fruchier (Herausgeber)

eBook Download: PDF

2017 | 1. Auflage
112 Seiten
Elsevier Science (Verlag)
978-1-4832-8058-5 (ISBN)

Infos

9780080211978 Physical Organic Chemistry - 3 (Montpellier, 1976) is a collection of plenary lectures presented at the Third IUPAC Conference on Physical Organic Chemistry, held in Montpellier, France on September 6-10, 1976. This book is composed of nine chapters and begins with an examination of the concept of absolute equilibrium acidity scale and its application to structure-activity relationship evaluation. The succeeding chapters deal with micellar catalysis and inhibition, as well as the application of quantum chemical ab initio methods to CO, CS, and related double bonds. These topics are followed by discussions of the hydrolysis of acetals and hemiacetals; the mechanisms and catalysis in vinyl ester hydrolysis; and the acid-base catalysis of carbonyl and acyl group reactions. The final chapters explore the strain energy modeling of simple and crowded aliphatic ketones. These chapters also look into the stereochemistry of dissolving metal reduction of ketones and the hydrolysis of phosphate esters. This book will be of value to physical chemists and physical chemistry researchers and students.

Inhalt

Front Cover 
1 
Physical Organic Chemistry 4
Copyright Page 
5 
Table of Contents 
6 
Chapter 1. 
8 
INTRODUCTION 8
ABSOLUTE ACIDITY SCALE IN DIMETHYL SULFOXIDE 8
ACIDITIES IN DMSO COMPARED TO THOSE IN OTHER MEDIA 9
REMOTE SUBSTITUENT EFFECTS 11
REFERENCES 13
Chapter 2. MICELLAE CATALYSIS AND INHIBITION 
14 
INTRODUCTION 14
RELATION BETWEEN MICELLAR CATALYSIS AND SUBSTRATE STRUCTURE 18
CATALYSIS BY FUNCTIONAL MICELLES 19
STEREOCHEMICAL CONSEQUENCES OF MICELLIZATION 21
PREPARATIVE APPLICATIONS 22
REFERENCES 22
Chapter 3. 
26 
1. APPRECIATION OF AB INITIO CALCULATIONS APPLIED TO CHEMICAL PROBLEMS 26
2. COMPLEMENTARITY OF THEORY AND EXPERIMENT 28
3. THE INTERPRETATION OF QUANTUM MECHANICAL RESULTS AND THE USE OF NON-OBSERVABLES 29
4. DIFFERENT TYPES OF DOUBLE BONDS 31
5. SPECIAL CHARACTERISTICS OF CO, CS AND OTHER DOUBLE BONDS 32
6. GROUND STATE PROPERTIES OF MOLECULES WITH CO AND RELATED DOUBLE BONDS 33
7. IONIZATION POTENTIALS AND PROPERTIES OF IONIZED STATES 36
8. UV SPECTRA AND THE PROPERTIES OF EXCITED STATES 37
9. INTERMOLECULAR (AND INTRAMOLECULAR) INTERACTIONS 40
10. CHEMICAL REACTIONS 41
REFERENCES 43
Chapter 4. SOME MECHANISTIC STUDIES ON THE HYDROLYSIS OF ACETALS .ND HEMIACETALS 
46 
REFERENCES 51
Chapter 5. 
54 
INTRODUCTION 54
ALKALINE .HYDROLYSIS (3A,Un 2) 
55 
NEUTRAL ESTER HYDROLYSIS 58
ACID CATALYSIS DUE TO UNSYMMETRICALLY CATALYSED PARTITION OF THE TETRAHEDRAL INTERMEDIATE IN NEUTRAL ESTER HYDROLYSIS (A-BAC3) 
61 
BIMOLECULAR ACID-CATALYSED HYDROLYSIS (..C2) 
62 
UNIMOLECULAR ACID-CATALYSED HYDROLYSIS (AAC1 ) 
63 
ACID CATALYSIS INVOLVING RATE-LIMITING PROTON ATTACK ON CARBON (ASE2 MECHANISM) 
63 
METAL ION CATALYSIS 64
REFERENCES 64
Chapter 6. 
66 
REFERENCES 72
Chapter 7. STRAIN ENERGY MODELING OF SIMPLE AND CROWDED ALIPHATIC KETONES : SPECTROSCOPIC PROPERTIES 
74 
INTRODUCTION 74
OUTSTANDING FEATURES IN UV AND IR SPECTROSCOPY OF KETONES 75
PRINCIPLES, CONCEPTS AND METHODS USED FOR THE ANALYSIS OF SPECTROSCOPIC DATA 78
ANALYSIS OF SPECTROSCOPIC DATA 83
CONFORMATION, GEOMETRY AND STERIC ENERGY 87
CONCLUSION 91
RLFERENCES 91
Chapter 8. 
94 
References 102
Chapter 9. THE HYDROLYSIS OF PHOSPHATE ESTERS 
104 
INTRODUCTION 104
PHOSPHORANES 104
MONOMERIC METAPHOSPHATES 109
REFERENCES 111

Produkt-Details

• Erscheint lt. Verlag: 29.9.2017
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Organische Chemie
• Themenwelt: Technik
• ISBN-10: 1-4832-8058-6 / 1483280586
• ISBN-13: 978-1-4832-8058-5 / 9781483280585