title: A stepwise mechanism for the mechanochemical synthesis of halogen-bonded cocrystal architectures.
abstract: A molecular-level mechanism is proposed for two cases of mechanochemical cocrystallization via halogen bonds. The proposed stepwise mechanism is based on the observation and structural characterization of intermediates that appear in early stages of the reaction. The mechanism arises from the competition of strong and weak intermolecular halogen bonds of the N...I and S...I type and involves the initial formation of finite molecular assemblies, held together via N...I bonds that subsequently polymerize into infinite chains by cross-linking through S...I bonds. This mechanism has been observed in the synthesis of linear as well as zigzag halogen-bonded chain architectures.
authors.affiliation: Laboratory for General and Inorganic Chemistry, Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.
authors.forename: Dominik
authors.initials: D
authors.lastname: Cincić
authors.forename: Tomislav
authors.initials: T
authors.lastname: Friscić
authors.forename: William
authors.initials: W
authors.lastname: Jones
mesh_terms: D003460:Crystallization / Q000379:methods*; D005461:Fluorine / Q000737:chemistry; D006219:Halogens / Q000737:chemistry*; D007455:Iodine / Q000737:chemistry; D019563:Mechanics
chemical_list: D006219:Halogens; D005461:Fluorine; D007455:Iodine