We consider the roles of heteroatoms (mainly nitrogen, the halogens and the chalcogens) in dictating the conformation of linear conjugated molecules and polymers through non-covalent intramolecular interactions. Whilst hydrogen bonding is a competitive and sometimes more influential interaction, we provide unambiguous evidence that heteroatoms are able to determine the conformation of such materials with reasonable predictability.
Digital Object Identifier (DOI)
P. J. S. thanks the Royal Society for a Wolfson Research Merit Award, E. A. and P. J. S. the European Commission (Marie Curie Action of FP7, Grant No: PIRSES-GA-2013-612670) and A. L. K. the EPSRC for funding (EP/I029141). J. L. B. and V. C. acknowledge generous support from King Abdullah University of Science and Technology.
Electronic supplementary information (ESI) available: Materials and methods, details of absorption, emission and diffusion coefficient measurements. CCDC1440981–1440984. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6mh00051g
Conboy, Gary; Spencer, Howard J.; Angioni, Enrico; Kanibolotsky, Alexander L.; Findlay, Neil J.; Coles, Simon J.; Wilson, Claire; Pitak, Mateusz B.; Risko, Chad; Coropceanu, Veaceslav; Brédas, Jean-Luc; and Skabara, Peter J., "To Bend or Not to Bend – Are Heteroatom Interactions Within Conjugated Molecules Effective in Dictating Conformation and Planarity?" (2016). Chemistry Faculty Publications. 94.