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J-type dimer of Auramine O dye upon encapsulation in cucurbit[8]uril host showing intense excimer emission
Dyes and Pigments ( IF 4.5 ) Pub Date : 2018-06-19 , DOI: 10.1016/j.dyepig.2018.06.027
Xiran Yang , Simin Liu

The host−guest interactions between Auramine O (AuO) dye and cucurbit[n]uril (CB[n], n = 7, 8) were investigated in aqueous solution by 1H NMR, UV/Vis, fluorescence spectroscopic techniques and single crystal diffraction. The results indicate the simultaneous formation of 1:1 and 2:1 inclusion complexes between CB[7] and AuO with two binding constants as 1.17 × 105 M−1 and 3.99 × 102 M−1 by UV/Vis spectroscopy titration (1.20 × 105 M−1 and 5.26 × 103 M−1 by fluorescence spectroscopy) in phosphate buffer (pH 7.4). And a 1:2 homoternary inclusion complex CB[8]·AuO2 with binding constant as 2.95 × 109 M−2 (by fluorescence spectroscopy titration) is detected. Interestingly, the appearance of intense new broad emission band with big red-shift (100 nm) with respect to that of AuO proves the formation of excimer upon encapsulation of AuO molecules in CB[8]. Determination of single crystal structure of CB[8]·AuO2 further discloses the existence of J-type dimer with intermolecular CH···π interactions between two included phenyl groups on AuO molecules. Upon host−guest complexation of AuO with CB[7] or CB[8], the pKa shifts of AuO were measured.



中文翻译:

Auramine O染料的J型二聚体包裹在葫芦[8]尿素宿主中,表现出强烈的准分子发射

金胺O(之间的主-客体相互作用AUO)染料和葫芦[ Ñ ]脲(CB [ Ñ ],Ñ  = 7,8)通过在水溶液中进行了研究1 H NMR,UV /可见光谱,荧光光谱技术和单晶衍射。结果表明,通过UV / Vis光谱滴定法,CB [7]与AuO同时形成了1:1和2:1的包合物,两个结合常数分别为1.17×10 5  M -1和3.99×10 2  M -1( 1.20×10 5  M -1和5.26×10 3  M -1在磷酸盐缓冲液(pH 7.4)中通过荧光光谱法)。并检测出结合常数为2.95×10 9  M -2的1:2均聚物包合物CB [8]· AuO 2(荧光光谱滴定法)。有趣的是,相对于AuO而言,强红移(100 nm)的强新宽发射带的出现证明了将AuO分子包裹在CB中会形成准分子[8]。CB [8]· AuO 2单晶结构的确定进一步公开了在AuO分子上两个包含的苯基之间具有分子间CH···π相互作用的J型二聚体的存在。在主客复合体友达与CB [7]或CB [8]中,p ķ一个的位移友达进行测定。

更新日期:2018-06-19
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