Nuclear Magnetic Resonance Spectroscopy 60 MHz NMR spectrometer for proton only. 500 MHz multinuclear NMR spectrometer. The superconducing 11,7 T Magnet is on the right,As ts implied in the name, nuclear magnetic resonance (or NMR) is concerned with the magnetic properties of certain atomic nuclei, notably the nucleus of the hydrogen atom—the proton—and that of the carbon-13 isotope of carbon, Studying a molecule by NMR spectroscopy enables us to record differ- ences in the magnetic properties of the various magnetic nuclei present, and to deduce in large measure what the positions of these nuclei are within the molecule. We can deduce how many different kinds of environ- ments there are in the molecule, and also which atoms are present in neighboring groups. Usually we can also measure how many atoms are present in each of these environments. The proton NMR. spectrum of toluene, Cg6HsCH3, represents an ex- tremely simple.:example of an NMR spectrum, and it is shown in diagrammatic form in. figure 3.1(a). Toluene has two groups of hydrogen atoms—the methyl hydrogens and the ring hydrogens. Two signals appear on the spectrum, corresponding to these two different chemical and magnetic environments. . The areas under each signal'are in the ratio of the nuniber of protons in each part of the molecule, and measurement will show that the ratio of these areas is 5:3, The areas are found from the step heights in the integration trace: see section 3.7. A typical carbon-13 NMR spectrum is shown in figure 3.1(b), and the assignment of each signal to a unique carbon environment in the molecule (p-hydroxyacétophenone) is also indicated. Each different carbon atom produces a different signal. Because of molecular symmetry, C-2 and C-6 are equivalent, as are C-3 and C-5; note, therefore, that the signals numbered 2 and 4 in the spectrum are of high intensity, since each corresponds to two carbons. Note also that the other signals are of low intensity, but are unequal, even though each corresponds to a single carbon, The threc-line signal from the solvent corresponds to the single carbon atom of deuteriochloroform, CDCl; i¢ appears as a triplet becauseNUCLEAR MAGNETIC RESONANCE SPECTROSCOPY 103 of an interaction with the deuterium atom. These features will be discussed later in this chapter. integration trace cH, O 5 ring protons }_-3 methyl protons @) 8 f° 760 1 6 5 4 oH p-hydroxyacetophenone C-2 and C-6 C-3 and C-5 solvent signal (CDCI3) {by Figure 3.1 (a) Diagrammatic 'H NMR spectrum of toluene, CgHsCHy, showing two signals in the intensity ratio 5:3. (b) "C NMR spectrum of p-hydroxyacetophenone, p-CH;COC,H,OH, showing six signals corresponding to the six different carbon environments in the molecule. (20 MHz, in CDCI.)