qualitative organic analysis – ch 351 nmr...
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Qualitative Organic Analysis –CH 351
NMR Spectroscopy
Bela TorokDepartment of Chemistry
University of Massachusetts BostonBoston, MA
General Aspects
2
Theoretical base of NMR spectroscopy
General Aspects
3
General Aspects
Theoretical base of NMR spectroscopy
4
General Aspects
Theoretical base of NMR spectroscopy
General Aspects
Schematic diagram of an NMR spectrometer
6
General Aspects
Handling
7
General Aspects
Magnetic field
8
General Aspects
Pulsed NMR
9
General Aspects
Relaxation
Spin-Lattice Relaxation (longitudinal or T1)
10
General Aspects
Relaxation
Spin-Spin Relaxation (T2)
11
General Aspects
Shielding
12
General Aspects
NMR active nucleii (elements)
Odd number of protons and/or neutrons
(strongly depends on natural abundance)1H , 2H (3H)13C15N18O check!19F31P
and many others
13
General Aspects – 1H NMR Spectroscopy
Equivalent vs. Nonequivalent nucleii
14
General Aspects – 1H NMR Spectroscopy
Equivalent vs. Nonequivalent nucleii
15
General Aspects – 1H NMR Spectroscopy
Equivalent vs. Nonequivalent nucleii
16
General Aspects – 1H NMR Spectroscopy
Equivalent vs. Nonequivalent nucleii
17
General Aspects – 1H NMR Spectroscopy
Equivalent vs. Nonequivalent nucleii
18
General Aspects – 1H NMR Spectroscopy
Equivalent vs. Nonequivalent nucleii
19
Chemical Shift
General Aspects – 1H NMR Spectroscopy
20
General Aspects – 1H NMR Spectroscopy
Chemical Shiftδ = dist. down field from TMS (Hz) / op. frequency (MHz)
21
General Aspects – 1H NMR Spectroscopy
Chemical Shift
22
General Aspects – 1H NMR Spectroscopy
Chemical Shift
23
General Aspects – 1H NMR Spectroscopy
Chemical Shift
24
General Aspects – 1H NMR Spectroscopy
Chemical Shift
25
General Aspects – Mass Analyzers General Aspects – 1H NMR Spectroscopy
Chemical Shift
26
General Aspects – 1H NMR Spectroscopy
Chemical Shift
27
General Aspects – 1H NMR SpectroscopyChemical Shift
28
General Aspects – 1H NMR Spectroscopy
Chemical Shift
29
General Aspects – 1H NMR Spectroscopy
Chemical Shift
30
General Aspects – 1H NMR Spectroscopy
Chemical Shift
Diamagnetic anisotropy
31
General Aspects – 1H NMR Spectroscopy
Chemical Shift
Diamagnetic anisotropy
32
General Aspects – 1H NMR Spectroscopy
Chemical Shift Diamagnetic anisotropy
33
General Aspects – 1H NMR Spectroscopy
Chemical Shift Diamagnetic anisotropy
34
General Aspects – 1H NMR Spectroscopy
Chemical Shift Diamagnetic anisotropy
35
General Aspects – 1H NMR Spectroscopy
Integration
36
General Aspects – 1H NMR Spectroscopy
Integration
37
General Aspects – 1H NMR Spectroscopy
Integration
38
General Aspects – 1H NMR Spectroscopy
Integration
39
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling splitting of the signals
40
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling splitting of the signals
N+1 rule
(2I+1 in general)
41
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling splitting of the signals
42
43
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
44
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
45
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
46
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
47
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling long range splitting
48
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
49
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
50
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
51
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
52
53
General Aspects – 1H NMR Spectroscopy
Geminal Coupling Spin-Spin Coupling
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
54
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling – Coupling Constant
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling – Coupling Constant
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling – Coupling Constant
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling – Coupling Constant
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling – Splitting Diagram
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling – Splitting Diagram
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling – Splitting Diagram
General Aspects – 1H NMR Spectroscopy
Spin-Spin Coupling – Splitting Diagram
General Aspects – 1H NMR Spectroscopy
Enantiotopic hydrogens
General Aspects – 1H NMR Spectroscopy
Diastereotopic hydrogens
General Aspects – 1H NMR Spectroscopy
Diastereotopic hydrogens
General Aspects – 1H NMR Spectroscopy
Time dependence - slow method
General Aspects – 1H NMR Spectroscopy
Time dependence - slow method
General Aspects – 1H NMR Spectroscopy
Time dependence - slow method
Effect of the medium
General Aspects – 1H NMR Spectroscopy
General Aspects – 1H NMR Spectroscopy
Resolution of spectra
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