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

doi:10.1039/C6MH00051G

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 journal › Article › peer-review

82 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 language	English (US)
Pages (from-to)	333-339
Number of pages	7
Journal	Mater. Horiz.
Volume	3
Issue number	4
DOIs	https://doi.org/10.1039/C6MH00051G
State	Published - 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.

Access to Document

10.1039/C6MH00051G

https://repository.kaust.edu.sa/bitstream/10754/617086/1/c6mh00051g.pdf

Cite this

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., Bredas, J.-L., & Skabara, P. J. (2016). To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity? Mater. Horiz., 3(4), 333-339. https://doi.org/10.1039/C6MH00051G

@article{586da70ecad7423581d5799b448fa1ff,

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

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.",

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

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.",

year = "2016",

doi = "10.1039/C6MH00051G",

language = "English (US)",

volume = "3",

pages = "333--339",

journal = "Mater. Horiz.",

issn = "2051-6347",

publisher = "Royal Society of Chemistry",