X-Ray Diffraction and Crystallography

X-Ray Diffraction and Crystallography

Since x-ray photons are very energetic, they have relatively short wavelengths. For example, the 54.4-keV \({K}_{\alpha }\) x ray of this example has a wavelength \(\lambda =\text{hc}/E=0\text{.}\text{0228 nm}\). Thus, typical x-ray photons act like rays when they encounter macroscopic objects, like teeth, and produce sharp shadows; however, since atoms are on the order of 0.1 nm in size, x rays can be used to detect the location, shape, and size of atoms and molecules. The process is called x-ray diffraction, because it involves the diffraction and interference of x rays to produce patterns that can be analyzed for information about the structures that scattered the x rays.

Perhaps the most famous example of x-ray diffraction is the discovery of the double-helix structure of DNA in 1953 by an international team of scientists working at the Cavendish Laboratory—American James Watson, Englishman Francis Crick, and New Zealand–born Maurice Wilkins. Using x-ray diffraction data produced by Rosalind Franklin, they were the first to discern the structure of DNA that is so crucial to life. For this, Watson, Crick, and Wilkins were awarded the 1962 Nobel Prize in Physiology or Medicine. There is much debate and controversy over the issue that Rosalind Franklin was not included in the prize.

This figure shows a diffraction pattern produced by the scattering of x rays from a crystal. This process is known as x-ray crystallography because of the information it can yield about crystal structure, and it was the type of data Rosalind Franklin supplied to Watson and Crick for DNA. Not only do x rays confirm the size and shape of atoms, they give information on the atomic arrangements in materials. For example, current research in high-temperature superconductors involves complex materials whose lattice arrangements are crucial to obtaining a superconducting material. These can be studied using x-ray crystallography.

X-ray diffraction from the crystal of a protein, hen egg lysozyme, produced this interference pattern. Analysis of the pattern yields information about the structure of the protein. (credit: Del45, Wikimedia Commons)

Historically, the scattering of x rays from crystals was used to prove that x rays are energetic EM waves. This was suspected from the time of the discovery of x rays in 1895, but it was not until 1912 that the German Max von Laue (1879–1960) convinced two of his colleagues to scatter x rays from crystals. If a diffraction pattern is obtained, he reasoned, then the x rays must be waves, and their wavelength could be determined. (The spacing of atoms in various crystals was reasonably well known at the time, based on good values for Avogadro’s number.) The experiments were convincing, and the 1914 Nobel Prize in Physics was given to von Laue for his suggestion leading to the proof that x rays are EM waves. In 1915, the unique father-and-son team of Sir William Henry Bragg and his son Sir William Lawrence Bragg were awarded a joint Nobel Prize for inventing the x-ray spectrometer and the then-new science of x-ray analysis.

The elder Bragg had migrated to Australia from England just after graduating in mathematics. He learned physics and chemistry during his career at the University of Adelaide. The younger Bragg was born in Adelaide but went back to the Cavendish Laboratories in England to a career in x-ray and neutron crystallography; he provided support for Watson, Crick, and Wilkins for their work on unraveling the mysteries of DNA and to Max Perutz for his 1962 Nobel Prize-winning work on the structure of hemoglobin. Here again, we witness the enabling nature of physics—establishing instruments and designing experiments as well as solving mysteries in the biomedical sciences.

Certain other uses for x rays will be studied in later tutorials. X rays are useful in the treatment of cancer because of the inhibiting effect they have on cell reproduction. X rays observed coming from outer space are useful in determining the nature of their sources, such as neutron stars and possibly black holes. Created in nuclear bomb explosions, x rays can also be used to detect clandestine atmospheric tests of these weapons. X rays can cause excitations of atoms, which then fluoresce (emitting characteristic EM radiation), making x-ray-induced fluorescence a valuable analytical tool in a range of fields from art to archaeology.