More than Restriction of Twisted Intramolecular Charge Transfer: Three-Dimensional Expanded #-Shaped Cross-Molecular Packing for Emission Enhancement in Aggregates

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• 作者：Yan Qian ; Minmin Cai ; Xinhui Zhou ; Zhiqiang Gao ; Xupeng Wang ; Yuezhi Zhao ; Xiaohong Yan ; Wei Wei ; Linghai Xie ; Wei Huang
• 刊名：The Journal of Physical Chemistry C
• 出版年：2012
• 出版时间：June 7, 2012
• 年：2012
• 卷：116
• 期：22
• 页码：12187-12195
• 全文大小：565K
• 年卷期：v.116,no.22(June 7, 2012)
• ISSN：1932-7455

文摘

This study developed a new solid-state, highly emissive phenylbenzoxazole-based organic compound, N-(4-(benzo[d]oxazol-2-yl)phenyl)-4-tert-butylbenzamide, which exhibited a distinct aggregation-induced enhanced emission. The solid fluorescence efficiency of the newly developed compound was 50.3%, whereas that in THF solution was only 0.22%. The single-crystal analyses revealed that a specific three-dimensional #-shaped cross stacking between molecules was observed in the solid/aggregated state, driven by specific C鈥揌路路路蟺 interaction and various hydrogen bonds. The expansion of the cross-dipole stacking into the three-dimensional network was believed to be the dominant factor for the emission enhancement in the solids/aggregates, with respect to the assistant effect of the photoinduced twisted intramolecular charge transfer restriction.