Crystal structures of two charge-transfer com-plexes of benzo[1,2-c:3,4-c':5,6-c'']tri-thio-phene (D 3h -BTT)
© Qin et al. 2019..
Benzo[1,2-c:3,4-c':5,6-c'']tri-thio-phene (D 3h -BTT) is an easily prepared electron donor that readily forms charge-transfer complexes with organic acceptors. We report here two crystal structures of its charge-transfer complexes with 7,7,8,8-tetra-cyano-quinodi-methane (TCNQ) and buckminsterfullerene (C60). The D 3h -BTT·TCNQ complex, C12H6S3·C12H4N4, crystallizes with mixed layers of donors and acceptors, with an estimated degree of charge transfer at 0.09 e. In the D 3h -BTT·C60·toluene complex, C12H6S3·C60·C7H8, the central ring of BTT is 'squeezed' by the C60 mol-ecules from both faces. However, the degree of charge transfer is low. The C60 unit is disordered over two sites in a 0.766 (3):0.234 (3) ratio and was refined as a two-component inversion twin.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2019 |
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| Erschienen: |
2019 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:75 |
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| Enthalten in: |
Acta crystallographica. Section E, Crystallographic communications - 75(2019), Pt 10 vom: 01. Okt., Seite 1573-1577 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Qin, Qian [VerfasserIn] |
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| Links: |
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| Themen: |
Benzotrithiophene |
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| Anmerkungen: |
Date Revised 30.09.2020 published: Electronic-eCollection Citation Status PubMed-not-MEDLINE |
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| doi: |
10.1107/S2056989019013161 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
NLM302432159 |
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| 245 | 1 | 0 | |a Crystal structures of two charge-transfer com-plexes of benzo[1,2-c:3,4-c':5,6-c'']tri-thio-phene (D 3h -BTT) |
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| 500 | |a Date Revised 30.09.2020 | ||
| 500 | |a published: Electronic-eCollection | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a © Qin et al. 2019. | ||
| 520 | |a Benzo[1,2-c:3,4-c':5,6-c'']tri-thio-phene (D 3h -BTT) is an easily prepared electron donor that readily forms charge-transfer complexes with organic acceptors. We report here two crystal structures of its charge-transfer complexes with 7,7,8,8-tetra-cyano-quinodi-methane (TCNQ) and buckminsterfullerene (C60). The D 3h -BTT·TCNQ complex, C12H6S3·C12H4N4, crystallizes with mixed layers of donors and acceptors, with an estimated degree of charge transfer at 0.09 e. In the D 3h -BTT·C60·toluene complex, C12H6S3·C60·C7H8, the central ring of BTT is 'squeezed' by the C60 mol-ecules from both faces. However, the degree of charge transfer is low. The C60 unit is disordered over two sites in a 0.766 (3):0.234 (3) ratio and was refined as a two-component inversion twin | ||
| 650 | 4 | |a Journal Article | |
| 650 | 4 | |a C60 | |
| 650 | 4 | |a TCNQ | |
| 650 | 4 | |a benzotrithiophene | |
| 650 | 4 | |a charge–transfer complex | |
| 650 | 4 | |a crystal structure | |
| 700 | 1 | |a Mague, Joel T |e verfasserin |4 aut | |
| 700 | 1 | |a Gould, Haley E |e verfasserin |4 aut | |
| 700 | 1 | |a Vasquez, Samuel E |e verfasserin |4 aut | |
| 700 | 1 | |a Heyer, Anthony E |e verfasserin |4 aut | |
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