Band gap of carbon-sulfur [N]helicenes.
Org Lett
; 14(12): 3076-9, 2012 Jun 15.
Article
em En
| MEDLINE
| ID: mdl-22651843
ABSTRACT
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).
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MEDLINE
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En
Ano de publicação:
2012
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Article