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[资源] Solution NMR of Paramagnetic Molecules

书名Solution NMR of
Paramagnetic Molecules
Applications to Metallobiomolecules
and Models
作者Ivono Bertini
Magnetic Resonance Center, Department of Chemistry
University of Florence
Florence, Italy
Claudio Luchinot
Magnetic Resonance Center, Department of Agricultural Biotechnology
University of Florence
Florence, Italy
页数384
出版社艾斯维尔
ISBN: 0444 20529 2
Preface v
1 Introduction 1
1.1 Magnetic moments and magnetic fields 1
1.2 About the spin moments 4
1.3 Something more about the nuclear spin 8
1.4 A lot more about the electron spin 10
1.5 About the energies 15
1.6 Magnetization and magnetic susceptibility 15
1.7 The nuclear magnetic resonance experiment 19
1.7.1 The continuous wave experiment and definition of Ti and T2 19
1.7.2 The pulse experiment 22
1.7.3 The chemical shift 23
1.7.4 Something more about relaxation rates 25
1.8 General references 28
1.9 References 28
2 The Hyperfine Shift 29
2.1 Nuclear hyperfine shift and relaxation 29
2.1.1 The spin density 30
2.2 The magnetic nucleus-unpaired electron interaction: the hyperfine shift 32
2.2.1 The Fermi contact coupling 32
2.2.2 The dipolar coupling 37
2.2.2.1 Metal-centered point-dipole approximation 37
2.2.2.2 Ligand-centered contributions 42
2.3 Shift and spin patterns for protons and deuterons in solution 43
2.3.1 Metal ion-water interactions 44
2.3.2 Other cases 46
2.4 Proton hyperfine coupling and conformation 52
2.5 The origin of the shifts in heteronuclei 55
2.6 When is metal-centered pseudocontact shift expected? 59
2.7 Attempts to separate contact and pseudocontact shifts 61
2.8 The case of lanthanides and actinides 62
2.8.1 Electronic properties of lanthanides 62
2.8.2 The pseudocontact contribution to the hyperfine shifts 63
2.8.3 The contact contribution to the hyperfine shifts 64
2.8.4 Separation of pseudocontact and contact contributions 66
2.9 The pseudocontact shifts in paramagnetic metalloproteins 67
2.10 The effect of high magnetic fields 69
2.11 References 70
viii Contents
3 Relaxation 75
3.1 Introduction 75
3.2 The correlation time 77
3.3 Electron relaxation 81
3.3.1 The main mechanisms for electron relaxation 82

(Current Methods in Inorganic Chemistry) I. Bertini C. Luchinat G.jpg

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2015-02-01 17:46:50, 16.35 M