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¡¾·ÖÏí¡¿Structure Determination by NMR Prof. Bernhard Jaun
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¹ØÓں˴ŵÄÓ¢Îİæ½Ì²Ä£¬½Ì²Ä×Ðϸ½²½âÁ˶þάÆ×£¬»¹ÓÐNOEµÈ£¬Ï£Íû¶Ô´ó¼ÒÓÐËù°ïÖú£¡ Contents 1. Practical aspects of pulse Fourier transform NMR spectroscopy 1.1 The basic NMR experiment: physical description 1.2 Excitation by RF pulses 1.3 Digitization, window functions and fourier transform 1.4 Quadrature detection 1.5 Phase cycles and Z-gradients 1.6 Dynamic range and solvent suppression 1.7 The principal components of an NMR spectrometer 2. The principle of 2D-NMR 2.1 The basic idea 2.2 A meaningless experiment 2.3 Quadrature detection in ¦Ø1 3. Homonuclear shift correlation through scalar couplings 3.1 COSY. 3.2 Determination of coupling constants from COSY cross peaks. 3.3 TOCSY 3.4 INADEQUATE: homonuclear 13C-13C double quantum spectroscopy. 4. Spectral editing 4.1 Spin echo building blocks 4.2 Heteronuclear J-modulation 4.3 Polarisation transfer: INEPT and DEPT 5. Heteronuclear shift correlation through one bond and long range couplings 5.1 Proton detected methods 5.2 Proton detected H,X-COSY 5.3 HSQC and HMQC 5.4 HMBC Prof. B. Jaun: Structure determination by NMR / Analytische Chemie IV 3 6. Relaxation, dipole-dipole couplings and NOE 6.1 Longitudinal and transversal relaxation 6.2 NOE in a two spin system without scalar coupling 6.3 The mechanism of dipolar relaxation 7. Homonuclear 1D-NOE difference spectroscopy 7.1 The steady state NOE in homonuclear multi-spin systems 7.2 Practice of 1D-NOE difference spectroscopy 8. Kinetic NOE-spectroscopy 8.1 NOESY 8.2 NOE in the rotating frame: ROESY 9. On the influence of dynamic processes on NOE spectra 9.1 Overall molecular tumbling, internal rotation (conformational changes) und chemical exchange 9.2 How to proceed with molecules with ¦Ø0¦Óc near 1 10. Combined application of several methods 10.1 Typical structure problems with organic molecules and suitable strategies 11. References and additional reading 11.1 Textbooks 11.2 Homonuclear correlation through scalar coupling 11.3 Heteronucleare correlation through scalar coupling 11.4 NOE 11.5 Coupling constants und Karplus relationships 11.6 Abbreviations and Acronyms 11.7 On the presentation of 2D-NMR data in the experimental part of a thesis or publication. ÏÂÔØµØÖ· http://d.namipan.com/d/3f125dcce ... 84602c31f60fc585100 [ Last edited by СÃÃ1023 on 2010-9-11 at 10:36 ] |
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