Fluorine-Induced Enhancement of the Oxidation Stability and Deep-Blue Optical Activity in Conductive Polyfluorene Derivatives

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• 作者：Arrigo Calzolari ; Barbara Vercelli ; Alice Ruini ; Tersilla Virgili ; Mariacecilia Pasini
• 刊名：Journal of Physical Chemistry C
• 出版年：2013
• 出版时间：December 19, 2013
• 年：2013
• 卷：117
• 期：50
• 页码：26760-26767
• 全文大小：348K
• 年卷期：v.117,no.50(December 19, 2013)
• ISSN：1932-7455

文摘

We present a joint experimental/theoretical study on the effects of fluorination on structural, electronic, and optical properties of poly[(9,9-di-n-octylfluoren-2,7-diyl)-alt-tetrafluoro-p-phenylene] (PFTFP), a polyfluorene (PFO)-derived conjugated polymer. The combination of optical (UV鈥搗is) and electrochemical (cyclic voltammetry) techniques with atomistic simulations demonstrates an improved oxidative stability of the fluorinated compound with respect to standard PFO. The resulting excellent luminescence efficiency along with the preservation of the good charge mobility, characteristic of the pristine PFO, make PFTFP a superior material for optoelectronic applications in the deep-blue. The comparison with auxiliary model systems provides a microscopic identification of the peculiar effects of fluorine on the structural and electronic properties of the polymer.