The electronic structure of periodic one-dimensional polyiodides is studied for both (I3−)∞ and systems. The deformation from the equidistant arrangement toward the (I3−)∞ structure, as well as from the linear toward zigzag chains, permits a rationalization of the experimentally found structures. The role of electron delocalization in their compounds with high electrical conductivity is examined.
ASJC Scopus subject areas
- Colloid and Surface Chemistry