Band gap of carbon-sulfur [N]helicenes
| Autor: | Andrzej Rajca, Makoto Miyasaka, Maren Pink, Arnon Olankitwanit, Suchada Rajca |
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| Rok vydání: | 2012 |
| Předmět: | |
| Zdroj: | Organic letters. 14(12) |
| ISSN: | 1523-7052 |
| Popis: | Asymmetric synthesis of (-)-[9]helicene, as well as preparation of its lower homologues, completes the series of carbon-sulfur [5]-, [7]-, [9]-, and [11]helicenes. Spectroscopic and electrochemical studies of this series provide an absorption onset-based band gap, E(g) = 3.40 eV, for a cross-conjugated (C(2)S)(n) helix; this value may be compared to E(g) = 3.59 eV obtained from TD-DFT computed excitation energies for a series of dimethyl-substituted [n]helicenes (n ≤ 31). |
| Databáze: | OpenAIRE |
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