π-Electron Conjugation in Two Dimensions.
Organic oligomers and polymers with extended π-conjugation are the fundamental building blocks of organic electronic devices. Novel routes are being explored to create tailor-made organic materials, and recent progress in organic chemistry and surface chemistry has led to the synthesis of planar 2D...
| Published in: | Journal of the American Chemical Society Vol. 135; no. 44; pp. 16585 - 16595 |
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| Main Authors: | , |
| Format: | Article |
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American Chemical Society
11/6/2013
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| Online Access: | View this record in EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=92594190&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 92594190 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 11/6/2013 vid: 135 iid: 44 pid: 997 pub: American Chemical Society artinfo: ui: 92594190 10.1021/ja408355p ppf: 16585 ppct: 10 formats: tig: atl: π-Electron Conjugation in Two Dimensions. aug: au: Gutzler, Rico Perepichka, Dmitrii F. affil: Max Planck Institute for Solid State Research, Heisenbergstrasse 1, 70569 Stuttgart, Germany Department of Chemistry and Centre for Self-Assembled Chemical Structures, McGill University, Montreal, Quebec H3A 0B8, Canada su: Organic chemistry Organic compounds Organic electronics Organic electrochemistry Bioconjugates Density functional theory Oligomers Polymers sug: subj: Organic chemistry Organic compounds Organic electronics Organic electrochemistry Bioconjugates Density functional theory Oligomers Polymers ab: Organic oligomers and polymers with extended π-conjugation are the fundamental building blocks of organic electronic devices. Novel routes are being explored to create tailor-made organic materials, and recent progress in organic chemistry and surface chemistry has led to the synthesis of planar 2D polymers. Here we show how extending π-conjugation in the second dimension leads to novel materials with HOMO–LUMO gaps smaller than in 1D polymers built from the same parent molecular repeat unit. Density functional theory calculations on experimentally realized 2D polymers grant insight into HOMO–LUMO gap contraction with increasing oligomer size and show fundamental differences between 1D and 2D “band gap engineering”. We discuss how the effects of cross-conjugation and dihedral twists affect the electronic gaps. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2013 holdings: @attributes: islocal: N |
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