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Pressure‐Induced Polymerization and Electrical Conductivity of a Polyiodide
Author(s) -
Poręba Tomasz,
Ernst Michelle,
Zimmer Dominik,
Macchi Piero,
Casati Nicola
Publication year - 2019
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201901178
Subject(s) - polymerization , triiodide , electrical resistivity and conductivity , polymer , conductivity , chemistry , polymer chemistry , iodine , salt (chemistry) , materials science , chemical engineering , organic chemistry , electrode , electrolyte , engineering , electrical engineering , dye sensitized solar cell
We report the high‐pressure structural characterization of an organic polyiodide salt in which a progressive addition of iodine to triiodide groups occurs. Compression leads to the initial formation of discrete heptaiodide units, followed by polymerization to a 3D anionic network. Although the structural changes appear to be continuous, the insulating salt becomes a semiconducting polymer above 10 GPa. The features of the pre‐reactive state and the polymerized state are revealed by analysis of the computed electron and energy densities. The unusually high electrical conductivity can be explained with the formation of new bonds.