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Foreword

Preface

Preface to Fifth Edition

1 Ultraviolet and visible spectra

1.1 Introduction

1.2 The energy of electronic excitation

1.3 The absorption laws

1.4 Measurement of the spectrum

1.5 Vibrational fine structure

1.6 Choice of solvent

1.7 Selection rules and intensity

1.8 Chromophores

1.9 Solvent effects

1.10 Searching for a chromophore

1.11 Standard works of reference

1.12 Definitions

1.13 Conjugated dienes

1.14 Polyenes

1.15 Polyeneynes and poly-ynes

1.16 Ketones and aldehydes; n -> n* transitions

1.17 Ketones and aldehydes; n -^ n* transitions

1.18 nsaturated acids, esters, nitriles, and amides

1.19 The benzene ring

1.20 Substituted benzene rings

1.21 Polycyclic aromatic hydrocarbons

1.22 Heteroaromatic compounds

1.23 Quinones

1.24 Porphyrins, chlorins, and corroles

1.25 Non-conjugated interacting chromophores

1.26 The effect ofsteric hindrance to coplanarity

Bibliography

2 Infrared spectra

2.1 Introduction

2.2 Preparation of samples and examination in an infrared

spectrometer

2.3 Fourier transform infrared spectroscopy

2.4 Examination in a Raman spectrometer

2.5 Selection rules

2.6 The infrared spectrum

2.7 The use of the tables of characteristic group frequencies

2.8 Correlation charts

2.9 Absorption frequencies of single bonds to hydrogen

2.10 Absorption frequencies oftriple bonds and cumulated

double bonds

2.11 The aromatic overtone and combination region

2000-1600 cm-1

2.12 Absorption frequencies ofthe double bond region

2.13 Groups absorbing in the fingerprint region

2.14 Examples of infrared spectra

Bibliography

3.Nuclear magnetic resonance spectra

3.1 Nuclear spin and resonance

3.2 The measurement of spectra

3.3 The chemical shift

3.4 The intensity of NMR signals and integration

3.5 Factors affecting the chemical shift

3.6 Spin-spin coupling to 13C

3.7 1H-1H first-order coupling

3.8 Some simple 'H-'H splitting patterns

3.9 The magnitude of 'H-'H coupling constants

3.10 Line broadening and environmental exchange

3.11 Improving the NMR spectrum

3.12 Spin decoupling

3.13 The nuclear Overhauser effect

3.14 The many-pulse experiments

3.15 The separation ofchemical shift and coupling on to different

axes

3.16 Assignment ofCH3, CH2, CH, and quaternary carbons

3.17 Two-dimensional NMR

3.18 COSYspectra

3.19 Total correlation spectroscopy

3.20 NOESYspectra

3.21 1H-13C COSY spectra

3.22 Long-range 1H-13C COSY spectra

3.23 Identifying 13C-13C connections (INADEQUATE spectra)

3.24 Three- and four-dimensional NMR

3.25 Hints for spectral interpretation and structure detennination

3.26 Tables ofdata

Bibliography

4.Mass spectroscopic

4.1 Introduction

4.2 lon production

4.3 lon analysis

4.4 Isotope abundances

4.5 El spectra

4.6 CI spectra

4.7 FD spectra

4.8 FAB spectra

4.9 ESI spectra

4.10 MALDI spectra

4.11 Gas chromatoeraphy-mass spectrometry

4.12 Liquid chromatography-mass spectrometry

4.13 MS data systems

4.14 Specific ion monitoring and quantitative MS

4.15 Interpreting the spectrum ofan unknown

Bibliography

5.Practice in structure determination

5.1 General approach

5.2 Simple worked examples using 13C NMR

5.3 Simple worked examples using 1H NMR

5.4 Simple worked examples usina joint appiication of

spectroscopic methods

5.5 Simple problems using 13C NMR or joint application of IR

and 13C NMR

5.6 Simple problems using 1H NMR

5.7 Problems using a combination of spectroscopic methods

5.8 Answers to problems