Abstract
Neutron diffraction has been used in conjunction with isotopic substitution of deuteriumfor hydrogen to study the structure of lithium–ammonia solutions, at concentrationsspanning the metal–nonmetal transition. Detailed analysis and visualization of ourexperimental data has been carried out via iterative refinement of a three-dimensionalmolecular model, allowing us to obtain unique insight into the formation of polaronicelectron cavities in the solutions. At low electron concentrations the solutions arenonmetallic, and the ammonia molecules are orientated around cavity centres to formBjerrum-type defects. As the electron content is increased, the solutions becomemetallic, and we find evidence of percolation channels through the solvent. Thedissociated electrons therefore play an active role in determining the structure of thesesolutions, and serve to disrupt the hydrogen bonding present in liquid ammonia.
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