Abstract

Chapter 1 Introduction
1-1    The Spectroscopic Approach to Structure Determination
1-2    Contributions of Different Forms of Spectroscopy
1-3    The Electromagnetic Spectrum
1-4    Molecular Weight and Molecular Formula
1-5    Structural Isomers and Stereoisomers
Problems
Part I  NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Chapter 2 Introduction
2-1    Magnetic Properties of Nuclei
2-2    The Chemical Shift
2-3    Excitation and Relaxation
2-4    Pulsed Experiments
2-5    The Coupling Constant
2-6    Quantification and Complex Splitting
2-7    Commonly Studied Nuclides
2-8    Dynamic Effects
2-9    Spectra of Solids
2-10    Experimental Methods
Problems
Tips on Solving NMR Problems
Bibliography
Chapter 3 The Chemical Shift
3-1    Factors That Influence Proton Shifts
3-2    Proton Chemical Shifts and Structure
3-3    Medium and Isotope Effects
3-4    Factors That Influence Carbon Shirts
3-5    Carbon Chemical Shifts and Structure
3-6    Tables of Chemical Shifts
Problems
Further Tips on Solving NMR Problems
Bibliography
Chapter 4 The Coupling Constant
4-1    First-Order Spectra
4-2    Chemical and Magnetic Equivalence
4-3    Signs and Mechanisms
4-4    Couplings over One Bond
4-5    Geminal Couplings
4-6    Vicinal Couplings
4-7    Long-Range Couplings
4-8    Spectral Analysis
4-9    Second-Order Spectra
4-10    Tables of Coupling Constants
Problems
Bibliography
Chapter 5 Further Topics in One-Dimensional NMR
5-1    Spin-Lattice and Spin-Spin Relaxation
5-2    Reactions on the NMR Time Scale
5-3    Multiple Resonance
5-4    The Nuclear Overhauser Effect
5-5    Spectral Editing
5-6    Sensitivity Enhancement
5-7    Carbon Connectivity
5-8    Phase Cycling, Composite Pulses, and Shaped Pulses
Problems
Bibliography
Chapter 6 Two-Dimensional NMR
6-1    Proton-Proton Correlation Through Coupling
6-2    Proton-Heteronucleus Correlation
6-3    Proton-Proton Correlation Through Space or Chemical Exchange
6-4    Carbon-Carbon Correlation
6-5    Higher Dimensions
6-6    Pulsed Field Gradients
6-7    Summary of Two-Dimensional Methods
Problems
Bibliography
Part II MASS SPECTROMETRY
Chapter 7 Instrumentation and Theory
7-1    Introduction
7-2    Ionization Methods
7-3    Mass Analysis
7-4    Sample Preparation
Chapter 8 Ion Activation and Fragmentation
8-1    Basic Principles
8-2    Methods and Energetics    
8-3    Functional Groups
Chapter 9 Structural Analysis
9-1    Molecular Weights
9-2    Molecular Formula
9-3    Structures from Fragmentation Patterns
9-4    Polymers
Chapter 10 Quantitative Applications
10-1    Quantification of Analytes
10-2    Thermochemistry
Part III VIBRATIONAL SPECTROSCOPY
Chapter 11 Introduction
11-1    Introduction
11-2    Vibrations of Molecules
11-3    Infrared and Raman Spectra
11-4    Units and Notation
11-5    Infrared Spectra:  Dispersive and Fourier Transform
11-6    Sampling Methods for Infrared Transmission Spectra
11-7    Raman Spectroscopy
11-8    Raman Sampling Methods
11-9    Depolarization Measurements
11-10    Infrared Reflection Spectroscopy
Problems
Bibliography
Chapter 12 Group Frequencies
12-1    Introduction
12-2    Factors Affecting Group Frequencies
12-3    Infrared Group Frequencies
12-4    Raman Group Frequencies
12-5    Preliminary Analysis
12-6    The CH Stretching Region (3340-2700 cm-1)
12-7    The Carbonyl Stretching Region (1850-1650 cm-1)
12-8    Aromatic Compounds
12-9    Compounds Containing Methyl Groups
12-10    Compounds Containing Methylene Groups
12-11    Unsaturated Compounds
12-12    Compounds Containing Oxygen
12-13    Compounds Containing Nitrogen
12-14    Compounds Containing Phosphorus and Sulfur
12-15    Heterocyclic Compounds
12-16    Compounds Containing Halogens
12-17    Boron, Silicon, Tin, Lead, and Mercury Compounds
12-18    Isotopically Labeled Compounds
12-19    Using the Literature on Vibrational Spectroscopy
Problems
Bibliography
Part IV ELECTRONIC ABSORPTION SPECTROSCOPY
Chapter 13 Introduction and Experimental Methods
13-1    Introduction
13-2    Measurement of Ultraviolet-Visible Light Absorption
13-3    Quantitative Measurements
13-4    Electronic Transitions
13-5    Experimental Aspects
Problems
Bibliography
Chapter 14 Structural Analysis
14-1    Isolated Chromophores
14-2    Conjugated Chromophores
14-3    Aromatic Compounds
14-4    Important Naturally Occurring Chromophores
14-5    The Woodward-Fieser Rules
14-6    Steric Effects
14-7    Solvent Effects and Dynamic Equilibria
14-8    Hydrogen Bonding Studies
14-9    Homoconjugation
14-10    Charge Transfer Band
14-11    Worked Problems
Problems
Bibliography
Chapter 15 Integrated Problems