本书是一本由英国剑桥大学D. H. Williams和I. Fleming合著的有机化学光谱方法经典教材。第1版出版于1966年，本书为第6版。书中讲述了近年来迅猛发展的二维核磁共振（如Tocsy、远'H-13C COSY）、MALDI、FT-ICR、TOF等新技术。与时俱进，本版较前版在内容上做了较大的改动，有关UV和IR光谱的部分讲述的更加准确；丰富了关于NMR的内容；介绍MS的部分更加讲求结合实际。全书共分为五章，第1章为紫外和可见光谱，论述了电子吸收光谱在测定有机基团中的应用；第2章红外光谱，阐述了傅里叶红外和喇曼光谱的样品制备、光谱选律以及各官能团的特征吸收频率；第3章核磁共振波谱，主要介绍了'H和13C核磁共振的经验参数、各种二维NMR的具体应用；第4章质谱，介绍了各种粒子谱以及气相和液相色谱与质谱的联用；第5章实例和习题，为读者提供了一些选自研究课题、具有启发性的实例，也为读者巩固所学的知识提供了练习。本书理论和实践并举，因此也适合有机化学工作者做为手册使用。

Preface

Chapter 1：Ultraviolet and visible spectra

 1.1 Introduction

 1.2 Chromophores

 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 Solvent effects

 1.9 Searching for a chromophore

 1.10 Definitions

 1.11 Conjugated dienes

 1.12 Polyenes

 1.13 Polyeneynes and poly-ynes

 1.14 Ketones and aldehydes; π-π* transitions

 1.15 Ketones and aldehydes; π-π* transitions

 1.16 α,β-Unsaturated acids, esters, nitriles and amides

 1.17 The benzene ring

 1.18 Substituted benzene rings

 1.19 Polycyclic aromatic hydrocarbons

 1.20 Heteroaromatic compounds

 1.21 Quinones

 1.22 Corroles, chlorins and porphyrins

 1.23 Non-conjugated interacting chromophores

 1.24 The effect ofsteric hindrance to coplanarity

 1.25 Internet

 1.26 Bibliography

Chapter 2：Infrared spectra

 2.1 Introduction

 2.2 Preparation of samples and examination in an infrared spectrometer

 2.3 Examination in a Raman spectrometer

 2.4 Selection rules

 2.5 The infrared spectrum

 2.6 The use of the tables of characteristic group frequencies

 2.7 Absorption frequencies of single bonds to hydrogen 3600-2000 cm-

 2.8 Absorption frequencies of triple and cumulated double bonds2300-1930 cm-

 2.9 Absorption frequencies of the double-bond region 1900-1500 em-1

 2.10 Groups absorbing in the fingerprint region <1500 cm-1

 2.11 Internet

 2.12 Bibliography

 2.13 Correlation charts

 2.14 Tables of data

Chapter 3：Nuclear magnetic resonance spectra

 3.1 Nuclear spin and resonance

 3.2 The measurement of spectra

 3.3 The chemical shift

 3.4 Factors affecting the chemical shift

3.4.1 Intramolecular factors affecting the chemical shift

3.4.2 Intermolecular factors affecting the chemical shift

 3.5 Spin-spin coupling to 13C

3.5.1 13C-2H Coupling

3.5.2 13C-1H Coupling

3.5.3 13C-13C Coupling

 3.6 1H-1H Vieinal coupling (3JHH)

 3.7 1H-1H Geminal coupling (2JHH)

 3.8 1H-1H Long-range coupling (4JHH and 5JHH)

 3.9 Deviations from first-order coupling

 3.10 The magnitude of 1H-1H coupling constants

3.10.1 Vicinal coupling 3JHH

3.10.2 Geminal coupling (2JHH)

3.10.3 Long-range coupling (4JHH and 5JHH)

 3.11 Line broadening and environmental exchange

3.11.1 Efficient relaxation

3.11.2 Environmental exchange

 3.12 Improving the NMR spectrum

3.12.1 The effect of changing the magnetic field

3.12.2 Shift reagents

3.12.3 Solvent effects

 3.13 Spin decoupling

3.13.1 Simple spin decoupling

3.13.2 Difference decoupling

 3.14 The nuclear Overhanser effect

3.14.1 Origins

3.14.2 NOE Difference spectra

 3.15 Assignment ofCH3, CH2, CH and quaternary carbons in 13C NMR

 3.16 Identifying spin systems——1D-TOCSY

 3.17 The separation of chemical shift and coupling onto different axes

 3.18 Two-dimensional NMR

 3.19 COSY spectra

 3.20 NOESY spectra

 3.21 2D-TOCSY spectra

 3.22 1H-13C COSY spectra

3.22.1 Heteronuclear Multiple Quantum Coherence (HMQC) spectra

3.22.2 Heteronuclear Multiple Bond Connectivity (HMBC) spectra

 3.23 Measuring 13C-IH coupling constants (HSQC-HECADE spectra)

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

 3.25 Three- and four-dimensional NMR

 3.26 Hints for spectroscopic interpretation and structure determination

3.26.1 Carbon spectra

3.26.2 Proton spectra

3.26.3 Hetero-correlations

 3.27 Internet

 3.28 Bibliography

 3.29 Tables of data

Chapter4：Mass spectra

 4.1 Introduction

 4.2 Ion production from readily volatile molecules

4.2.1 Electron impact (EI)

4.2.2 Chemical Ionisation (CI)

 4.3 Ion production from poorly volatile molecules

4.3.1 Fast ion bombardment (FIB or LSIMS)

4.3.2 Laser desorption (LD) and matrix-assisted laser desorption (MALDI)

4.3.3 Electrospray ionisation (ESI)

 4.4 Ion analysis

4.4.1 Magnetic analysers

4.4.2 Combined magnetic and electrostatic analysers——high-resolution mass spectra (HRMS)

4.4.3 Ion cyclotron resonance (ICR) analysers

4.4.4 Time-of-flight (TOF) analysers

4.4.5 Quadrupole analysers

4.4.6 Ion-trap analysers

 4.5 Structural information from mass spectra

4.5.1 Isotopic abundances

4.5.2 EI spectra

4.5.3 CI spectra

4.5.4 FIB (LSMIS) spectra

4.5.5 MALDI spectra

4.5.6 ESI spectra

4.5.7 ESI-FT-ICR and ESI-FT-Orbitrap spectra

 4.6 Separation coupled to mass spectrometry

4.6.1 GC/MS and LC/MS

4.6.2 MS/MS

 4.7 MS data systems

 4.8 Specific ion monitoring and quantitative MS (SIM and MIM)

 4.9 Interprcting the spectrum of an unknown

 4.10 Internet

 4.11 Bibliography

 4.12 Tables of data

Chapter 5：Practice in structure determination

 5.1 General approach

 5.2 Simple worked examples using 13C NMR alone

 5.3 Simple worked examples using 1H N-MR alone

 5.4 Simple worked examples using the combined application of all fourspectroscopic ethods

 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 1-33

Index