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

Gary Conboy, Howard J. Spencer, Enrico Angioni, Alexander L. Kanibolotsky, Neil J. Findlay, Simon J. Coles, Claire Wilson, Mateusz B. Pitak, Chad Risko, Veaceslav Coropceanu, Jean-Luc Bredas, Peter J. Skabara

Research output: Contribution to journalArticlepeer-review

46 Scopus citations

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.
Original languageEnglish (US)
Pages (from-to)333-339
Number of pages7
JournalMater. Horiz.
Volume3
Issue number4
DOIs
StatePublished - 2016

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: 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. All data supporting this
research are openly available from http://dx.doi.org/10.15129/
24e57291-5208-450f-87b8-ab1fc3143e85.

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