On the Mechanism of Peripentacene Formation from Pentacene:  Computational Studies of a Prototype for Graphene Formation from Smaller Acenes

The formation of peripentacene during the high-temperature vacuum sublimation of pentacene (P) in the presence of trace amounts of 6,13-dihydropentacene (DHP) has been studied computationally with density functional theory. Computational and kinetic analyses indicate that competing mechanisms involv...

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Veröffentlicht in:	Journal of the American Chemical Society 2007-05, Vol.129 (20), p.6536-6546
Hauptverfasser:	Northrop, Brian H, Norton, Joseph E, Houk, K. N
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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