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|Title:||A kinetically blocked 1,14:11,12-dibenzopentacene: A persistent triplet diradical of a non-Kekulé polycyclic benzenoid hydrocarbon|
|Citation:||Li, Y., Huang, K.-W., Sun, Z., Webster, R.D., Zeng, Z., Zeng, W., Chi, C., Furukawa, K., Wu, J. (2014-05). A kinetically blocked 1,14:11,12-dibenzopentacene: A persistent triplet diradical of a non-Kekulé polycyclic benzenoid hydrocarbon. Chemical Science 5 (5) : 1908-1914. ScholarBank@NUS Repository. https://doi.org/10.1039/c3sc53015a|
|Abstract:||The synthesis of high-spin polycyclic hydrocarbons is very challenging due to their extremely high reactivity. Herein, we report the synthesis and characterization of a kinetically blocked 1,14:11,12-dibenzopentacene, DP-Mes, which represents a rare persistent triplet diradical of a non-Kekulé polycyclic benzenoid hydrocarbon. In contrast to its structural isomer 1,14:7,8-dibenzopentacene (heptazethrene) with a singlet biradical ground state, DP-Mes is a triplet diradical as confirmed by ESR and ESTN measurements and density functional theory calculations. DP-Mes also displays intermolecular antiferromagnetic spin interactions in solution at low temperature. © 2014 the Partner Organisations.|
|Source Title:||Chemical Science|
|Appears in Collections:||Staff Publications|
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