Kinetically Blocked Stable Heptazethrene and Octazethrene: Closed-Shell or Open-Shell in the Ground State?

Polycyclic aromatic hydrocarbons with an open-shell singlet biradical ground state are of fundamental interest and have potential applications in materials science. However, the inherent high reactivity makes their synthesis and characterization very challenging. In this work, a convenient synthetic...

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Publicado en:	Journal of the American Chemical Society Vol. 134; no. 36; pp. 14913 - 14923
Autores principales:	Yuan Li, Wee-Kuan Heng, Byung Sun Lee, Naoki Aratani, Zafra, José L., Bao, Nina, Lee, Richmond, Young Mo Sung, Zhe Sun, Kuo-Wei Huang, Webster, Richard D., López Navarrete, Juan T., Dongho Kim, Atsuhiro Osuka, Casado, Juan, Jun Ding, Jishan Wu
Formato:	Artículo
Publicado:	American Chemical Society 9/12/2012
Materias:	Polycyclic aromatic hydrocarbons synthesis Molecular structure of polycyclic aromatic hydrocarbons Phenalene Ground state (Quantum mechanics) Electronic structure Density functionals
Acceso en línea:	Ver este registro en EBSCOhost