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NMR: Information Obtained from a Spectrum

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Presentation on theme: "NMR: Information Obtained from a Spectrum"— Presentation transcript:

1 NMR: Information Obtained from a Spectrum
An NMR Spectrum will generally provide three types of information: Chemical Shift – indicates the electronic environment of the nucleus (shielded or deshielded) Integration – gives the relative number of nuclei producing a given signal. The integral (area under the curve) is drawn on the spectrum by the instrument. Spin-Spin Coupling – describes the connectivity

2 NMR: Integration Indicates Relative Number of Nuclei
Integral has relative height 9 Relative height 2 The height of the integration line (“integral”) gives you the relative number of nuclei producing each signal.

3 NMR: Information Obtained from a Spectrum
An NMR Spectrum will generally provide three types of information: Chemical Shift – indicates the electronic environment of the nucleus (shielded or deshielded) Integration – gives the relative number of nuclei producing a given signal Spin-Spin Coupling: - describes the carbon connectivity follows the “n+1”rule”

4 NMR: Splitting into a Doublet
Note that the red signal at 1.6 ppm for the methyl group is split into two peaks. Remember that this is one signal, composed of two separate peaks.

5 NMR: Signal Splitting, n+1 Rule
A signal is often split into multiple peaks due to interactions with protons on carbons next door. Called spin-spin splitting The splitting is into one more peak than the number of H’s on adjacent carbons (“n+1 rule”) Splitting of a signal can give doublets (two peaks), triplets (three peaks), quartets (4 peaks), ect. The relative intensities given by Pascal’s Triangle: doublet 1 : 1 triplet : 2 : 1 quartet : 3 : 3 : 1 pentet: : 4 : 6 : 4 : 1

6 NMR: Signal Splitting, n+1 Rule
n+1 Rule: A signal in the proton NMR spectrum will be split into n+1 peaks, where n is the number of protons on adjacent carbons. Example: CH3-CH2-Br For the Methyl Group – There are two protons ‘next door’ (n=2), so the methyl signal will be split into three peaks (2+1), which is called a triplet. Chemical shift will be about 1.5 (alkane region), integration = 3. For the CH2 Group – Three protons next door will give a signal with 3+1 = 4 peaks, called a quartet. Chemical shift = 3.3 (heteroatom region), integration = 2.

7 NMR: Signal Splitting, n+1 Rule
Peak Heights - Pascal’s Triangle doublet : 1 triplet : 2 : 1 quartet : 3 : 3 : 1 pentet 1 : 4 : 6 : 4 : 1


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