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

Conboy, G. et al. (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. (doi: 10.1039/c6mh00051g)

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.

• Item Type: Articles
• Additional Information: 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. We thank Diamond Light Source for the allocation of beam time MT8521 on beamline I19 and acknowledge the EPSRC UK National Mass Spectrometry Facility (NMSF) at Swansea University for HRMS.
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Skabara, Professor Peter and Wilson, Dr Claire and Angioni, Mr Enrico and Findlay, Dr Neil
• Authors: Conboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., Wilson, C., Pitak, M. B., Risko, C., Coropceanu, V., Brédas, J.-L., and Skabara, P. J.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Materials Horizons
• Publisher: Royal Society of Chemistry
• ISSN: 2051-6347
• ISSN (Online): 2051-6355
• Published Online: 26 April 2016
• Copyright Holders: Copyright © 2016 The Royal Society of Chemistry
• First Published: First published in Materials Horizons, 3:333-339
• Publisher Policy: Reproduced under a creative commons license