Department of Science, systems and Models

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Presentation transcript:

Department of Science, systems and Models Relaxation Spin lattice Spin-spin 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Relaxation times 2D NMR Department of Science, systems and Models

Relaxation mechanisms Dipole-dipole Spin-rotation Anisotropy Scalar coupling constants Paramagnetic molecules Quadrupolar nuclei 2D NMR Department of Science, systems and Models

Inversion recovery experiment 2D NMR Department of Science, systems and Models

Inversion recovery experiment 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Relaxaton times of H1 2D NMR Department of Science, systems and Models

T1 relaxation times of toluene 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Decoupling Decoupling=multiple resonance 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Decoupling of 14N 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Decoupling 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Ammonium ion 2D NMR Department of Science, systems and Models

14N NMR spectrum of partially deuteriated ammonium ions 2D NMR Department of Science, systems and Models

Off-resonance decoupling 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Diff NOE 2D NMR Department of Science, systems and Models

Spin-echo experiment with heteronuclear coupling 2D NMR Department of Science, systems and Models

Department of Science, systems and Models NOE effect 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Overhauser effect h = girr/gobs(W2-W0/W0+2W1+W2) 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models No NOE !!!! Negative gamma Intermediate molecular size 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Decoupling schemes 2D NMR Department of Science, systems and Models

Department of Science, systems and Models NOE effects 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Three-spin effect 2D NMR Department of Science, systems and Models

Spin echo experiment (remove inhomogeneity) 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Red blood cells (erythrocytes) 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Hydrolysis of aspirin 2D NMR Department of Science, systems and Models

NMR spectrum of asprin in blood 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Cultured astrocytes 2D NMR Department of Science, systems and Models

Conversion of acetaldehyde in astrocytes Acetic acid 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Spectral editing 2D NMR Department of Science, systems and Models

Department of Science, systems and Models CH and CH2 2D NMR Department of Science, systems and Models

Attached proton test (APT) for cholesteryl acetate 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Inadequate 2D NMR Department of Science, systems and Models

Phase cycling inversion recovery 2D NMR Department of Science, systems and Models

Spin-echo experiment with heteronuclear coupling 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Composite pulse 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Shaped pulses 2D NMR Department of Science, systems and Models

Text for tomorrow Chapter 6 Problems for tomorrow Handouts problems 8.3 and 8.4 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR The gateway to assignment and structure determination of biological molecules 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Nomenclature 2D NMR Department of Science, systems and Models

Department of Science, systems and Models COSY pulse sequence 2D NMR Department of Science, systems and Models

Department of Science, systems and Models COSY experiment 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Progressive Regressive parallel 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models COSY of 2D NMR Department of Science, systems and Models

COSY of m-dinitobezene 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models COSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Tripeptide 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Assignment 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Artefacts Differences in digital resolution Transverse relaxation Longitudinal relaxation = T1 noise Incorrect pulse lengths 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Remedies Checking pulse lengths Phase cycling Symmetrization Cyclops 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Tilt AMX system 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Phase sensitive Parallel transitions no phase shift Progressive -90 Regressive 90 Magnitude spectra 2D NMR Department of Science, systems and Models

Department of Science, systems and Models DQF COSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models DFQ COSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Phase sensitive COSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models COSY and Relayed COSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models COSY and TOCSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models TOCSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models TOCSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Gradient version of COSY exp. 2D NMR Department of Science, systems and Models

Department of Science, systems and Models COSY and COSY-45 2D NMR Department of Science, systems and Models

Department of Science, systems and Models High resolution 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Expansion 2D NMR Department of Science, systems and Models

J-resolved spectroscopy 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Opgaver 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HETCOR pulse sequence 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HETCOR pulse sequence 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HETCOR 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HETCOR spectrum 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HMQC pulse sequence 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HMQC spectrum 2D NMR Department of Science, systems and Models

Department of Science, systems and Models BIRD sequence 2D NMR Department of Science, systems and Models

Department of Science, systems and Models COLOC spectrum 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HSQC 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HMBC sequence 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HMBC spectrum 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HMBC 2D NMR Department of Science, systems and Models

Department of Science, systems and Models HSC and H-H-C relayed 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models NOESY spectrum 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Peak intensities 2D NMR Department of Science, systems and Models

Department of Science, systems and Models NOE factors 2D NMR Department of Science, systems and Models

Department of Science, systems and Models EXSY 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D INADEQUATE 2D NMR Department of Science, systems and Models

Department of Science, systems and Models NOESY spectrum 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models Gradients 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 6´ 6´ 3´ 2´ 5´ 5´ 4´ 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 1 1 3 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 5 4 3 6 6 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models

Department of Science, systems and Models 2D NMR Department of Science, systems and Models