Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes

Handle URI:
http://hdl.handle.net/10754/621613
Title:
Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes
Authors:
Sutton, Christopher; Risko, Chad; Bredas, Jean-Luc ( 0000-0001-7278-4471 )
Abstract:
Noncovalent intermolecular interactions, which can be tuned through the toolbox of synthetic chemistry, determine not only the molecular packing but also the resulting electronic, optical, and mechanical properties of materials derived from π-conjugated molecules, oligomers, and polymers. Here, we provide an overview of the theoretical underpinnings of noncovalent intermolecular interactions and briefly discuss the computational chemistry approaches used to understand the magnitude of these interactions. These methodologies are then exploited to illustrate how noncovalent intermolecular interactions impact important electronic properties-such as the electronic coupling between adjacent molecules, a key parameter for charge-carrier transport-through a comparison between the prototype organic semiconductor pentacene with a series of N-substituted heteropentacenes. Incorporating an understanding of these interactions into the design of organic semiconductors can assist in developing novel materials systems from this fascinating molecular class. © 2015 American Chemical Society.
KAUST Department:
Physical Sciences and Engineering (PSE) Division; Solar and Photovoltaic Engineering Research Center (SPERC)
Citation:
Sutton C, Risko C, Brédas J-L (2016) Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes. Chem Mater 28: 3–16. Available: http://dx.doi.org/10.1021/acs.chemmater.5b03266.
Publisher:
American Chemical Society (ACS)
Journal:
Chemistry of Materials
Issue Date:
30-Oct-2015
DOI:
10.1021/acs.chemmater.5b03266
Type:
Article
ISSN:
0897-4756; 1520-5002
Sponsors:
The work at Georgia Tech was supported by the Office of Naval Research (Award No. N00014-14-1-0171), and computing resources were provided through the National Science Foundation Chemistry Research Instrumentation and Facilities (CRIF) Program (Award No. CHE-0946869). The work at the University of Kentucky was supported by a seed grant from the Center for Applied Energy Research (CAER) and start-up funds provided by the University of Kentucky Vice President for Research. The work at King Abdullah University of Science and Technology was supported through competitive internal funding and the Office of Naval Research Global (Award No. N62909-15-1-2003). We are deeply indebted to Professor C. David Sherrill for his tremendous insight, shared through many discussions, into noncovalent intermolecular interactions and their evaluation.
Additional Links:
http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.5b03266
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Solar and Photovoltaic Engineering Research Center (SPERC)

Full metadata record

DC FieldValue Language
dc.contributor.authorSutton, Christopheren
dc.contributor.authorRisko, Chaden
dc.contributor.authorBredas, Jean-Lucen
dc.date.accessioned2016-11-03T08:33:21Z-
dc.date.available2016-11-03T08:33:21Z-
dc.date.issued2015-10-30en
dc.identifier.citationSutton C, Risko C, Brédas J-L (2016) Noncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenes. Chem Mater 28: 3–16. Available: http://dx.doi.org/10.1021/acs.chemmater.5b03266.en
dc.identifier.issn0897-4756en
dc.identifier.issn1520-5002en
dc.identifier.doi10.1021/acs.chemmater.5b03266en
dc.identifier.urihttp://hdl.handle.net/10754/621613-
dc.description.abstractNoncovalent intermolecular interactions, which can be tuned through the toolbox of synthetic chemistry, determine not only the molecular packing but also the resulting electronic, optical, and mechanical properties of materials derived from π-conjugated molecules, oligomers, and polymers. Here, we provide an overview of the theoretical underpinnings of noncovalent intermolecular interactions and briefly discuss the computational chemistry approaches used to understand the magnitude of these interactions. These methodologies are then exploited to illustrate how noncovalent intermolecular interactions impact important electronic properties-such as the electronic coupling between adjacent molecules, a key parameter for charge-carrier transport-through a comparison between the prototype organic semiconductor pentacene with a series of N-substituted heteropentacenes. Incorporating an understanding of these interactions into the design of organic semiconductors can assist in developing novel materials systems from this fascinating molecular class. © 2015 American Chemical Society.en
dc.description.sponsorshipThe work at Georgia Tech was supported by the Office of Naval Research (Award No. N00014-14-1-0171), and computing resources were provided through the National Science Foundation Chemistry Research Instrumentation and Facilities (CRIF) Program (Award No. CHE-0946869). The work at the University of Kentucky was supported by a seed grant from the Center for Applied Energy Research (CAER) and start-up funds provided by the University of Kentucky Vice President for Research. The work at King Abdullah University of Science and Technology was supported through competitive internal funding and the Office of Naval Research Global (Award No. N62909-15-1-2003). We are deeply indebted to Professor C. David Sherrill for his tremendous insight, shared through many discussions, into noncovalent intermolecular interactions and their evaluation.en
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.urlhttp://pubs.acs.org/doi/abs/10.1021/acs.chemmater.5b03266en
dc.titleNoncovalent Intermolecular Interactions in Organic Electronic Materials: Implications for the Molecular Packing vs Electronic Properties of Acenesen
dc.typeArticleen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentSolar and Photovoltaic Engineering Research Center (SPERC)en
dc.identifier.journalChemistry of Materialsen
dc.contributor.institutionSchool of Chemistry and Biochemistry, Center for Organic Photonics and Electronics, Georgia Institute of Technology, Atlanta, GA, United Statesen
dc.contributor.institutionDepartment of Chemistry, Center for Applied Energy Research, University of Kentucky, Lexington, KY, United Statesen
kaust.authorBredas, Jean-Lucen
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