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Understanding NMR Spectroscopy

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ISBN-10: 0470746092

ISBN-13: 9780470746097

Edition: 2nd 2010

Authors: James Keeler

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Description:

Remains the only book which sets out the theory of NMR in an accessible and comprehensible manner, avoiding excessive mathematics and taking the reader step by step though the argument. Completely new page layout incorporating extensive use of a second colour Inclusion of material on chemical exchange, spin-system analysis and the behavior of AX2 and AC3 spin systems Addition of interactive web-based resources for the book which go beyond simply reproducing the figures. Each chapter with tested exercises. Incorporating feedback from course participants and internet users.
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Book details

Edition: 2nd
Copyright year: 2010
Publisher: John Wiley & Sons, Limited
Publication date: 4/13/2010
Binding: Hardcover
Pages: 526
Size: 7.60" wide x 9.90" long x 1.15" tall
Weight: 3.146
Language: English

Preface
Preface to the first edition
Contents
What this book is about and who should read it
How this book is organized
Scope and limitations
Context and further reading
On-line resources
Abbreviations and acronyms
Setting the scene
NMR frequencies and chemical shifts
Linewidths, lineshapes and integrals
Scalar coupling
The basic NMR experiment
Frequency, oscillations and rotations
Photons
Further reading
Exercises
Energy levels and NMR spectra
The problem with the energy level approach
Introducing quantum mechanics
The spectrum from one spin
Writing the Hamiltonian in frequency units
The energy levels for two coupled spins
The spectrum from two coupled spins
Three spins
Further reading
Exercises
The vector model
The bulk magnetization
Larmor precession
Detection
Pulses
On-resonance pulses
Detection in the rotating frame
The basic pulse-acquire experiment
Pulse calibration
The spin echo
Pulses of different phases
Off-resonance effects and soft pulses
Further reading
Exercises
Fourier transformation and data processing
How the Fourier transform works
Representing the FID
Lineshapes and phase
Manipulating the FID and the spectrum
Zero filling
Truncation
Further reading
Exercises
The quantum mechanics of one spin
Introduction
Superposition states
Some quantum mechanical tools
Computing the bulk magnetization
Time evolution
RF pulses
Making faster progress: the density operator
Coherence
Further reading
Exercises
Product operators
Operators for one spin
Analysis of pulse sequences for a one-spin system
Speeding things up
Operators for two spins
In-phase and anti-phase terms
Hamiltonians for two spins
Notation for heteronuclear spin systems
Spin echoes and J-modulation
Coherence transfer
The INEPT experiment
Selective COSY
Coherence order and multiple-quantum coherences
Further reading
Exercises
Two-dimensional NMR
The general scheme for two-dimensional NMR
Modulation and lineshapes
COSY
Double-quantum filtered COSY (DQF COSY)
Double-quantum spectroscopy
Heteronuclear correlation spectra
HSQC
HMQC
Long-range correlation: HMBC
HETCOR
TOCSY
Frequency discrimination and lineshapes
Further reading
Exercises
Relaxation and the NOE
The origin of relaxation
Relaxation mechanisms
Describing random motion - the correlation time
Populations
Longitudinal relaxation behaviour of isolated spins
Longitudinal dipolar relaxation of two spins
The NOE
Transverse relaxation
Homogeneous and inhomogeneous broadening
Relaxation due to chemical shift anisotropy
Cross correlation
Further reading
Exercises
Advanced topics in two-dimensional NMR
Product operators for three spins
COSY for three spins
Reduced multiplets in COSY spectra
Polarization operators
ZCOSY
HMBC
Sensitivity-enhanced experiments
Constant time experiments
TROSY
Double-quantum spectroscopy of a three-spin system
Further reading
Exercises
Coherence selection: phase cycling and field gradient pulses
Coherence order
Coherence transfer pathways
Frequency discrimination and lineshapes
The receiver phase
Introducing phase cycling
Some phase cycling 'tricks'
Axial peak suppression
CYCLOPS
Examples of practical phase cycles
Concluding remarks about phase cycling
Introducing field gradient pulses
Features of selection using gradients
Using gradient pulses for coherence pathway selection
Advantages and disadvantages of coherence selection with gradients
Suppression of zero-quantum coherence
Selective excitation with the aid of gradients
Further reading
Exercises
Equivalent spins and spin system analysis
Strong coupling in a two-spin system
Chemical and magnetic equivalence
Product operators for AXn (InS) spin systems
Spin echoes in InS spin systems
INEPT in InS spin systems
DEPT
Spin system analysis
Further reading
Exercises
How the spectrometer works
The magnet
The probe
The transmitter
The receiver
Digitizing the signal
Quadrature detection
The pulse programmer
Further reading
Exercises
Some mathematical topics
The exponential function and logarithms
Complex numbers
Trigonometric identities
Further reading
Index