Cover Feature: Cooperative Self‐Assembly in Linear Chains Based on Halogen Bonds (ChemPlusChem 6/2021)

The Cover Feature shows how understanding the growth of linear molecular chains is key for the rational design and synthesis of novel supramolecular materials. Using state‐of‐the‐art quantum chemical computations, this work demonstrates that the cooperative properties of halogen bonds in linear chains can be rationalized by the increased charge separation within the σ‐electronic system, resulting from a stronger charge transfer from the lone‐pair orbital of the nitrogen atom on one unit to the C–halogen acceptor orbital on the adjacent unit. More information can be found in the Full Paper by G. Paragi, C. Fonseca Guerra, and co‐workers. [ABSTRACT FROM AUTHOR]