The structural landscape of ferrocenyl polychalcogenides

Abstract

Halogen bond (HaB) assisted co-crystallization strategy was used to explore the structural landscape of ferrocenic polychalcogenides varying from a rather compact ferrocenophane triselenide (1,1’-FcSe3) to bulky diferrocenyl ditelluride (Fc2Te2) and its mixed-valent derivative (FcTeTeI2Fc). Comparison of the supramolecular organization in their native crystals and respective cocrystals with the iconic halogen bond donor, 1,4-diiodotetrafluorobenzene (p-DITFB), demonstrate three different patterns: 1) conservation of the chain structures for FcTeTeI2Fc, 2) transformation of single Se···Se intermolecular interaction to double for FcSe3, and 3) for Fc2Te2, in the absence of specific and directed intermolecular interactions, the cocrystal packing of Fc2Te2 is governed only by p-DITFB HaBs directionality. This allows a rough glimpse of ferrocenic polychalcogenides structural landscape and shows the directions and methods for its further detailization. © 2021 Elsevier B.V.