Structural Analysis of Organic Compounds by Combined Application of Spectroscopic Methods - 1st Edition - ISBN: 9780444997487, 9780444597540

Structural Analysis of Organic Compounds by Combined Application of Spectroscopic Methods, Volume 1

1st Edition

Authors: J.T. Clerc E. Pretsch J. Seibl
eBook ISBN: 9780444597540
Imprint: Elsevier Science
Published Date: 1st January 1981
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Table of Contents


Preface

Part 1 Initial Remarks

Presentation of Data

Mass Spectra

Infrared Spectra

Proton NMR Spectra

Carbon-13 NMR Spectra

Ultraviolet Spectra

Assisting Measures

Mass Spectroscopy

Infrared Spectroscopy

Proton NMR Spectroscopy

Carbon-13 NMR Spectroscopy

Ultraviolet Spectroscopy

Reference Data

Combined Tables for All Methods Used in this Context

Mass Spectroscopy

Infrared Spectroscopy

Proton NMR Spectroscopy

Carbon-13 NMR Spectroscopy

Ultraviolet Spectroscopy

Technical Terms

Isochronous Nuclei

Magnetic Equivalence

Nomenclature of Spin Systems

Working Philosophy

Part 2 Problems

Problem 1

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 2

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 3

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 4

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 5

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 6

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 7

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 8

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 9

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 10

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 11

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 12

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 13

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 14

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 15

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 16

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 17

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 18

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 19

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 20

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 21

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 22

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 23

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 24

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 25

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 26

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 27

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 28

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 29

Elemental Composition and Structural Features

Structural Assembly

Comments

Problem 30

Elemental Composition and Structural Features

Structural Assembly

Part 3 Short Supplementing Essays

Degree of Unsaturation. Calculation of Number of Double Bond Equivalents

General Information from Mass Spectra

Evidence for Elemental Composition from Isotope Peak Intensities

Evidence for Elemental Composition in Low Resolution Mass Spectra

High Resolution Data

Impurities in Mass Spectra

Prediction of Infrared Stretching Frequencies

Overtones, Combination Bands, Fermi Resonance

Band Shapes and Intensities in Infrared Spectra

Spurious Bands in Infrared Spectra

Rules for the Interpretation of Proton NMR Spectra

General Rules

Rules for First Order Spectra

Higher Order Spectra

Simplification of Higher Order Spectra

Computer Simulation of Spectra

Off-Resonance Decoupled Spectra

Signal Intensities in Carbon-13 NMR Spectra

Saturation

Nuclear Overhauser Effect

Other Influences

Intensities of Solvent Signals

Influence of Molecular Symmetry and Conformational Equilibria on NMR Spectra

Introduction

Influence of Symmetry Properties on the NMR Spectra

Fast Conformational Equilibria

Examples

Bulk Susceptibility Corrections

Solvents in Ultraviolet Spectroscopy

Interactions of Chromophores

Appendix

Isotope Distribution Pattern of All Natural Elements in the Periodic System

Mass Correlation Table

Mass Spectra of some Important Solvents which Occur Frequently as Impurity in Mass Spectra of Organic Samples

Infrared Absorption Spectra of some Common Solvents and Suspension Agents

Estimation of the Proton Chemical Shifts in Substituted Alkanes

Estimation of the Chemical Shifts of Olefinic Protons

Estimation of the Proton Chemical Shifts in Substituted Benzene

Estimation of the Carbon-13 Chemical Shifts in Aliphatic Compounds

Steric Corrections S

Conformational Corrections C

Estimation of the Chemical Shifts of Olefinic Carbon Atoms

Estimation of the Carbon-13 Chemical Shifts in Substituted Benzene

Estimation of the Carbon-13 Chemical Shifts in Substituted Pyridine

Subject Index

Structures of Compounds

Description

Structural Analysis of Organic Compounds covers some practical analytical aspects of organic structural analysis by combined application of spectroscopic methods.

This book is composed of three parts encompassing 35 chapters that specifically describe infrared-, ultraviolet-, proton and carbon-13 nuclear magnetic resonance and mass spectroscopy. Considerable chapters discuss the problems intended to cover a wide variety of chemical structure and spectroscopic argument, thereby exemplifying interpretations and comment on specific practical aspects of the problem solving procedure. The remaining chapters provide short supplementing research concerning various aspects of structural analysis.

This book will prove useful to organic and analytical chemists.


Details

Language:
English
Copyright:
© Elsevier Science 1981
Published:
Imprint:
Elsevier Science
eBook ISBN:
9780444597540

Reviews

@qu:... recommended to postgraduates and more experienced workers in the field who would gain much from the authors' theoretical and practical experience and observations. @source: The Analyst


About the Authors

J.T. Clerc Author

E. Pretsch Author

J. Seibl Author