A novel approach for the synthesis of C60 fullerenes containing strained 2,3-dimethylenebicyclo[2,2,0]hexane fragments
The present article details a novel approach for introducing strained 2,3-dimethylenebicyclo[2,2,0]hexane structures into the C60 fullerene molecule, based on the reaction of C60 with substituted propargylamines, promoted by the Ti(Oi-Pr)4 and EtMgBr system. The theoretical LUMO energies of the stra...
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| Veröffentlicht in: | New journal of chemistry 2021-02, Vol.45 (6), p.2939-2942 |
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| container_issue | 6 |
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| container_title | New journal of chemistry |
| container_volume | 45 |
| creator | Tuktarov, Airat R Chobanov, Nuri M Ramazanov, Ilfir R Tulyabaev, Arthur R Akhmetov, Arslan R Galimov, Dim I Dzhemilev, Usein M |
| description | The present article details a novel approach for introducing strained 2,3-dimethylenebicyclo[2,2,0]hexane structures into the C60 fullerene molecule, based on the reaction of C60 with substituted propargylamines, promoted by the Ti(Oi-Pr)4 and EtMgBr system. The theoretical LUMO energies of the strained C60 derivatives calculated at the PBEPBE/6-311G(d,p) level of theory are from −3.93 to −4.09 eV, which indicates that these compounds seem to be promising as electron-acceptor materials for bulk heterojunction organic solar cells. |
| doi_str_mv | 10.1039/d0nj05465h |
| format | Article |
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The theoretical LUMO energies of the strained C60 derivatives calculated at the PBEPBE/6-311G(d,p) level of theory are from −3.93 to −4.09 eV, which indicates that these compounds seem to be promising as electron-acceptor materials for bulk heterojunction organic solar cells.</description><identifier>ISSN: 1144-0546</identifier><identifier>EISSN: 1369-9261</identifier><identifier>DOI: 10.1039/d0nj05465h</identifier><language>eng</language><publisher>Cambridge: Royal Society of Chemistry</publisher><subject>Acceptor materials ; Buckminsterfullerene ; Fullerenes ; Heterojunctions ; Hexanes ; NMR ; Nuclear magnetic resonance ; Photovoltaic cells ; Solar cells</subject><ispartof>New journal of chemistry, 2021-02, Vol.45 (6), p.2939-2942</ispartof><rights>Copyright Royal Society of Chemistry 2021</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27923,27924</link.rule.ids></links><search><creatorcontrib>Tuktarov, Airat R</creatorcontrib><creatorcontrib>Chobanov, Nuri M</creatorcontrib><creatorcontrib>Ramazanov, Ilfir R</creatorcontrib><creatorcontrib>Tulyabaev, Arthur R</creatorcontrib><creatorcontrib>Akhmetov, Arslan R</creatorcontrib><creatorcontrib>Galimov, Dim I</creatorcontrib><creatorcontrib>Dzhemilev, Usein M</creatorcontrib><title>A novel approach for the synthesis of C60 fullerenes containing strained 2,3-dimethylenebicyclo[2,2,0]hexane fragments</title><title>New journal of chemistry</title><description>The present article details a novel approach for introducing strained 2,3-dimethylenebicyclo[2,2,0]hexane structures into the C60 fullerene molecule, based on the reaction of C60 with substituted propargylamines, promoted by the Ti(Oi-Pr)4 and EtMgBr system. 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| ispartof | New journal of chemistry, 2021-02, Vol.45 (6), p.2939-2942 |
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| language | eng |
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| source | Royal Society Of Chemistry Journals 2008-; Alma/SFX Local Collection |
| subjects | Acceptor materials Buckminsterfullerene Fullerenes Heterojunctions Hexanes NMR Nuclear magnetic resonance Photovoltaic cells Solar cells |
| title | A novel approach for the synthesis of C60 fullerenes containing strained 2,3-dimethylenebicyclo[2,2,0]hexane fragments |
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