WOLFRAM|DEMONSTRATIONS PROJECT

Nuclear Magnetic Resonance Spectrum of Ethanol

​
resolution
sweep magnetic field
show nuclear spins
Nuclear magnetic resonance (NMR) spectroscopy can measure radio-frequency Zeeman transitions of proton spins in a magnetic field. It is more convenient to sweep the magnetic field through the resonances at a fixed frequency, typically 60 MHz. The resonances are sensitive to the chemical environment of nonequivalent protons, an effect known as the chemical shift. A classic example is the ethanol molecule C
H
3
C
H
2
OH, which shows three chemically-distinct hydrogen atom sites, thus three NMR peaks with intensity ratios 3:2:1. The relevant parameter is
δ
, representing the fractional deviation of the chemical shift measured in parts per million (ppm) from that of tetramethylsilane (TMS), a convenient standard assigned the reference value
δ=0
. A small amount of TMS is often added to the sample being measured to calibrate the
δ
-scale.
At higher resolution, it is possible to identify further splitting of the chemically-shifted peaks due to spin-spin interactions with neighboring groups of protons. Thus the C
H
3
resonance is split into a 1:2:1 triplet by interactions with the two C
H
2
protons. Correspondingly, the C
H
2
resonance is split into a 1:3:3:1 quartet by interactions with the three C
H
3
protons. The OH resonance is not usually split because of the rapid exchange of these protons via hydrogen bonding.
The spectroscopic procedures described in this Demonstration are intended as a simplified introduction to the principles of NMR. Modern NMR spectroscopy makes use of Fourier-transform techniques, which produce the entire spectrum simultaneously.