Engineering control over the conformation of the alkyne-aryl bond by the introduction of cationic charge.
Engineering control over the conformation of the alkyne-aryl bond by the introduction of cationic charge.
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DOI：
10.1021/ol7016966
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发表时间：
2007-09
期刊：
影响因子：
5.2
通讯作者：
Takashi Terashima;T. Nakashima;T. Kawai
中科院分区：
文献类型：
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作者：
Takashi Terashima;T. Nakashima;T. Kawai
合成了一种新型的亚芳基-亚乙炔基分子。这种分子在共面形式中比在典型的亚芳基-亚乙炔基分子的情况下的扭曲形式中更稳定。当阳离子电荷被引入π共轭体系时，垂直扭曲的形式变得比共面状态更稳定。通过吸收光谱、荧光光谱和密度泛函理论计算，证实了阳离子电荷的引入和去除控制了构象的变化。
A novel arylene-ethynylene molecule has been synthesized. This molecule is more stable in a coplanar form than in a twisted form as in the cases of typical arylene-ethynylene molecules. When the cationic charge was introduced into the pi-conjugated system, the perpendicularly twisted form became more stable than the coplanar state. The conformational change was controlled by introduction and removal of cationic charge, confirmed by the absorption and fluorescence spectroscopy and DFT calculation.