2D NMR: Density Matrix and Product Operator Treatment

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Unlike most specialized books on this subject that emphasize the mathematical foundations of 2D NMR, this book offers an experimentally-based, clear explanation of the density-matrix and product operator treatments thus allowing non-experts to work out sequences of varying degrees of complexity.

Author(s): Gheorghe D. Mateescu, Adrian Valeriu
Publisher: Prentice Hall
Year: 1993

Language: English
Pages: 205

Contents......Page 4
Foreword......Page 7
Preface......Page 8
Acknowledgements......Page 10
2. The Density Matrix......Page 11
3.1 Calculation Steps......Page 14
3.2 Equilibrium Populations......Page 15
3.3 The First Pulse......Page 17
3.4 Evolution from t(1) to t(2)......Page 19
3.5 The Second Pulse......Page 20
3.7 The Role of Δ₁ ......Page 21
3.8 Third and Fourth Pulses......Page 23
3.9 The Role of Δ₂......Page 24
3.10 Detection......Page 26
3.11 Comparison of the DM Treatment with Vector Representation......Page 31
4. The Density Matrix Description of a Double-Quantum Coherence Experiment (INADEQUATE)......Page 41
4.1 Equilibrium Populations......Page 42
4.2 The First Pulse......Page 44
4.3 Evolution from t(1) to t(2)......Page 45
4.4 The Second Pulse......Page 47
4.5 Evolution from t(3) to t(4)......Page 48
4.7 Evolution from t(5) to t(6)......Page 49
4.8 The Fourth Pulse......Page 50
4.9 Detection......Page 52
4.10 Carbon-Carbon Connectivity......Page 53
5.1 Equilibrium Populations......Page 55
5.4 The Second Pulse......Page 56
5.5 Detection......Page 59
6.1 Comparison with the Previous Sequence......Page 62
6.2 The Second Pulse......Page 63
6.3 Detection......Page 67
7 Conclusion of Part I......Page 69
2. Expressing the Density Matrix in Terms of Angular Momentum Components......Page 70
3. Describing the Effect of a Pulse inTerms of Angular Momenta......Page 72
4. An Unsuccessful Attempt to Describe a Coupled Evolution in Terms of Angular Momenta......Page 75
5 Product Operators (PO)......Page 77
6. Pulse Effects (Rotations) in the Product Operator Formalism......Page 80
7. Treatment of Evolutions in the Product Operator Formalism......Page 84
8. Refocusing Routines......Page 87
9. PO Treatment of 2DHETCOR: Two Spins (CH)......Page 90
10. PO Treatment of 2DHETCOR: CH₂ and CH₃......Page 93
11. PO Treatment of a Polarization Transfer Sequence: INEPT (Insensitive Nuclei Enhancement by Polarization Transfer) with Decoupling......Page 97
12. Coupled INEPT......Page 99
13. PO Treatment of DEPT (Distortionless Enhancement Polarization Transfer)......Page 104
14. PO Treatment of APT (Attached Proton Test)......Page 112
A. Math Reminder......Page 115
B. Density Matrix Formalism......Page 130
C. Angular Momentum and Rotation Operators......Page 147
D. Properties of Product Operators......Page 157
E. Demonstration of the Rotation Rules......Page 169
F. Demonstration of the Coupled Evolution Rules......Page 173
G. PO Evolution Tables......Page 179
H. Demonstration of the Refocusing Rules......Page 181
I. Supplementary Discussions......Page 184
J. Product Operators and Magnetization Components......Page 190
K. When to Drop Non-observable Terms (NOT)......Page 193
L. Magnetic Equivalence: The Multiplet Formalism......Page 194
M. Rotations about Nontrivial Axes......Page 198
Suggested Readings......Page 202
Index......Page 203