There are two main types of NMR 1. C13 NMR 2. H (proton) NMR There is only around 1% C13 in organic molecules but modern NMR machines are sensitive enough to give a full spectra for C13 The C13 spectra is a simpler spectrum than the H NMR Equivalent Carbon atoms. In a C13 NMR spectrum, there is one signal (peak) for each set of equivalent C atoms. C O C H H C H H H H C C O O C C H H H H H H H H CH3 C O O CH3 C O H C C C H H H H H H C C H H H H H 3 peaks 4 peaks 4 peaks 2 peaks a a a a a a b b b b c b c c d d 1,2 dinitrobenzene 1,3 dinitrobenzene 1,4 dinitrobenzene 3 peaks 4 peaks 2 peaks NO2 NO2 1 1 2 2 2 2 H3C C CH3 CH3 Cl a a a b 2 peaks CH3 NO2 a b c c d d e 5 peaks. Samples are dissolved in solvents without any 1H atoms, e.g. CCl4 , CDCl3 . This means that in the H NMR the solvent will not give any peaks The same solvent is used in C13 NMR and in this case there will be one peak due to the solvent that will appear on the spectrum. However, it is known where this peak is so it can be ignored. In the exam it is likely this peak will not occur on the spectra. Calibration and shift A small amount of TMS (tetramethylsilane) is added to the sample to calibrate the spectrum The same calibration compound is used for both H and C NMR TMS is used because: •its signal is away from all the others •it only gives one signal •it is non-toxic •it is inert •it has a low boiling point and so can be removed from sample easily The spectra are recorded on a scale known as the chemical shift (δ), which is how much the field has shifted away from the field for TMS.. The δ is a measure in parts per million (ppm) is a relative scale of how far the frequency of the proton signal has shifted away from that for TMS. C13 NMR shift
3.3.15 Nuclear magnetic resonance spectroscopy (A-level only)
Appreciation that scientists have developed a range of analytical techniques which together enable the structures of new compounds to be confirmed.
Nuclear magnetic resonance (NMR) gives information about the position of 13C or 1 H atoms in a molecule.
13C NMR gives simpler spectra than 1 H NMR.
The use of the δ scale for recording chemical shift. Chemical shift depends on the molecular environment.
The use of tetramethylsilane (TMS) as a standard.
Students should be able to:
• explain why TMS is a suitable substance to use as a standard
• use 1 H NMR and 13C NMR spectra and chemical shift data from the Chemistry Data Booklet to suggest possible structures or part structures for molecules