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To bend or not to bend : Are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?

Conboy, Gary and Spencer, Howard J. and Angioni, Enrico and Kanibolotsky, Alexander L. and Findlay, Neil J. and Coles, Simon J. and Wilson, Claire and Pitak, Mateusz B. and Risko, Chad and Coropceanu, Veaceslav and Bredas, Jean-Luc and Skabara, Peter J. (2016) To bend or not to bend : Are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity? Materials Horizons, 3 (4). pp. 333-339. ISSN 2051-6355

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Abstract

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.