Design, synthesis and computational modelling of aromatic tweezer-molecules as models for chain-folding polymer blends
Design, synthesis and computational modelling of aromatic tweezer-molecules as models for chain-folding polymer blends
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DOI：
10.1016/j.tet.2008.05.077
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发表时间：
2008-09-01
期刊：
影响因子：
2.1
通讯作者：
Colquhoun, Howard M.
中科院分区：
文献类型：
--
作者：
Greenland, Barnaby W.;Burattini, Stefano;Colquhoun, Howard M.
利用富π电子芘基和缺π电子二酰亚胺单元之间的相互作用，设计并合成了新型“镊子型”配合物。导致复合物形成的组分分子容易从市售的起始材料通过短而有效的合成获得。使用可见电荷转移带对所产生的复合物进行分析，发现随着越来越多的π-π堆积相互作用被引入到系统中，缔合常数从130 M（-1）依次增加到11，000 M（-1）。计算模型被用来分析这些复合物的结构，揭示了低能量链折叠构象的两个组件，这很容易让密切，多个π-π-堆叠和氢键的实现。在本文中，我们详细介绍了我们对这些复合物的初步研究，并概述了它们的行为如何为设计用于自适应涂层系统的自修复聚合物共混物提供基础。(C)2008爱思唯尔有限公司保留所有权利。
Novel 'tweezer-type' complexes that exploit the interactions between pi-electron-rich pyrenyl groups and pi-electron deficient diimide units have been designed and synthesised. The component molecules leading to complex formation were accessed readily from commercially available starting materials through short and efficient syntheses. Analysis of the resulting complexes, using the visible charge-transfer band, revealed association constants that increased sequentially from 130 to 11,000 M(-1) as increasing numbers of pi-pi-stacking interactions were introduced into the systems. Computational modelling was used to analyse the structures of these complexes, revealing low-energy chain-folded conformations for both components, which readily allow close, multiple pi-pi-stacking and hydrogen bonding to be achieved. In this paper, we give details of our initial studies of these complexes and outline how their behaviour could provide a basis for designing self-healing polymer blends for use in adaptive coating systems. (C) 2008 Elsevier Ltd. All rights reserved.