Self-assembly of conducting cocrystals via iodine π(Cp) interactionsElectronic supplementary information (ESI) available. CCDC 1528247-1528249, 1528251-1528253. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7ce00857k

• Main Authors: Torubaev, Yury V, Lyssenko, Konstantin A, Barzilovich, Petro Y, Saratov, George A, Shaikh, Mobin M, Singh, Ajeet, Mathur, Pradeep
• Format: Article
• Language: English
• ISSN: 1466-8033
• DOI: 10.1039/c7ce00857k

Conducting crystals of alternating ferrocene and diiodoacetylene units assembled into supramolecular 1-D chains via I π(Cp) halogen bonds were prepared and structurally characterized. Their structure and conductivity were compared with the ferrocene cocrystals with phenyliodoacetylene (C 6 H 5 C 2 I) and 1,4-di(ethynyliodo)phenylene. Electrical conductivity measurements of the ferrocene-based cocrystals revealed comparatively high electron-hole type conductivity in the ferrocene (FcH)-diiodoacetylene (C 2 I 2 ) pair, a 3-order decrease in combination with the 1,4-di(ethynyliodo)phenylene linker, and it is virtually extinguished with the monotopic 1,2-phenyliodoacetylene. The increased electric conductivity of compound 1 is rationalized in terms of a weak charge transfer through the I πCp halogen bonds in the [Cp-Fe-Cp I-C&z.tbd;C-I ] n polymeric chains. Conducting crystals of alternating ferrocene and diiodoacetylene units assembled into supramolecular 1-D chains via I π(Cp) halogen bonds were prepared and structurally characterized.