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

Handle URI:
http://hdl.handle.net/10754/617086
Title:
To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?
Authors:
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; Bredas, Jean-Luc ( 0000-0001-7278-4471 ) ; Skabara, Peter J.
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.
KAUST Department:
Physical Sciences and Engineering (PSE) Division
Citation:
To bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity? 2016, 3 (4):333 Mater. Horiz.
Publisher:
Royal Society of Chemistry (RSC)
Journal:
Mater. Horiz.
Issue Date:
26-Apr-2016
DOI:
10.1039/C6MH00051G
Type:
Article
ISSN:
2051-6347; 2051-6355
Sponsors:
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.
Is Supplemented By:
Conboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., … Skabara, P. J. (2016). CCDC 1440981: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kcg8n; DOI:10.5517/ccdc.csd.cc1kcg8n; HANDLE:http://hdl.handle.net/10754/624546; Conboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., … Skabara, P. J. (2016). CCDC 1440982: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kcg9p; DOI:10.5517/ccdc.csd.cc1kcg9p; HANDLE:http://hdl.handle.net/10754/624547; Conboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., … Skabara, P. J. (2016). CCDC 1440983: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kcgbq; DOI:10.5517/ccdc.csd.cc1kcgbq; HANDLE:http://hdl.handle.net/10754/624548; Conboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., … Skabara, P. J. (2016). CCDC 1440984: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kcgcr; DOI:10.5517/ccdc.csd.cc1kcgcr; HANDLE:http://hdl.handle.net/10754/624549
Additional Links:
http://xlink.rsc.org/?DOI=C6MH00051G
Appears in Collections:
Articles

Full metadata record

DC FieldValue Language
dc.contributor.authorConboy, Garyen
dc.contributor.authorSpencer, Howard J.en
dc.contributor.authorAngioni, Enricoen
dc.contributor.authorKanibolotsky, Alexander L.en
dc.contributor.authorFindlay, Neil J.en
dc.contributor.authorColes, Simon J.en
dc.contributor.authorWilson, Claireen
dc.contributor.authorPitak, Mateusz B.en
dc.contributor.authorRisko, Chaden
dc.contributor.authorCoropceanu, Veaceslaven
dc.contributor.authorBredas, Jean-Lucen
dc.contributor.authorSkabara, Peter J.en
dc.date.accessioned2016-07-18T09:16:46Z-
dc.date.available2016-07-18T09:16:46Z-
dc.date.issued2016-04-26-
dc.identifier.citationTo bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity? 2016, 3 (4):333 Mater. Horiz.en
dc.identifier.issn2051-6347-
dc.identifier.issn2051-6355-
dc.identifier.doi10.1039/C6MH00051G-
dc.identifier.urihttp://hdl.handle.net/10754/617086-
dc.description.abstractWe 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.en
dc.description.sponsorshipP. 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.en
dc.language.isoenen
dc.publisherRoyal Society of Chemistry (RSC)en
dc.relation.urlhttp://xlink.rsc.org/?DOI=C6MH00051Gen
dc.rightsArchived with thanks to Mater. Horiz. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. http://creativecommons.org/licenses/by/3.0/en
dc.titleTo bend or not to bend – are heteroatom interactions within conjugated molecules effective in dictating conformation and planarity?en
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.identifier.journalMater. Horiz.en
dc.eprint.versionPublisher's Version/PDFen
dc.contributor.institutionWestCHEM, Department of Pure and Applied Chemistry, University of Strathclyde, Glasgow, UKen
dc.contributor.institutionSchool of Chemistry, University of Manchester, Manchester M13 9PL, UKen
dc.contributor.institutionInstitute of Physical-Organic Chemistry and Coal Chemistry, 02160 Kyiv, Ukraineen
dc.contributor.institutionSchool of Chemistry, University of Southampton, Highfield, Southampton, UKen
dc.contributor.institutionDepartment of Chemistry and Center for Applied Energy Research, University of Kentucky, Lexington, USAen
dc.contributor.institutionSchool of Chemistry and Biochemistry and Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, USAen
dc.contributor.affiliationKing Abdullah University of Science and Technology (KAUST)en
kaust.authorBredas, Jean-Lucen
dc.relation.isSupplementedByConboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., … Skabara, P. J. (2016). CCDC 1440981: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kcg8nen
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1kcg8nen
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624546en
dc.relation.isSupplementedByConboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., … Skabara, P. J. (2016). CCDC 1440982: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kcg9pen
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1kcg9pen
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624547en
dc.relation.isSupplementedByConboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., … Skabara, P. J. (2016). CCDC 1440983: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kcgbqen
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1kcgbqen
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624548en
dc.relation.isSupplementedByConboy, G., Spencer, H. J., Angioni, E., Kanibolotsky, A. L., Findlay, N. J., Coles, S. J., … Skabara, P. J. (2016). CCDC 1440984: Experimental Crystal Structure Determination [Data set]. Cambridge Crystallographic Data Centre. https://doi.org/10.5517/ccdc.csd.cc1kcgcren
dc.relation.isSupplementedByDOI:10.5517/ccdc.csd.cc1kcgcren
dc.relation.isSupplementedByHANDLE:http://hdl.handle.net/10754/624549en
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