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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Bridged bis-BODIPYs: their synthesis, structures and properties
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Bridged bis-BODIPYs: their synthesis, structures and properties

机译：桥接的bis-BODIPYs：其合成，结构和性质

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A series of bis-BODIPYs 1-6 bridged via thiophene, furan, N-alkylcarbazole, triphenyl-amine, para-and meta-phenylene groups have been synthesized and characterized by various spectroscopic techniques. The change in the spectroscopic properties of bis-BODIPYs upon varying the size of spacers was studied. X-ray crystal structures of three bis-BODIPYs containing triphenylamine, para- and meta-phenylene bridges were solved. Intermolecular C(H)center dot center dot center dot pi and pi center dot center dot center dot pi stacking interactions were observed in solid state structures of three bis-BODIPYs. The dihedral angles between the spacer unit and two boron-dipyrrin units were lower in all three compounds as compared to their corresponding monomers. This suggests increased interactions between the two boron-dipyrrin units in molecules which are in turn reflected in the anodic shifts in their reduction potentials. DFT studies indicated effective electronic interactions between spacers and two boron dipyrrin units in all the bis-BODIPYs. The calculated HOMO-LUMO gap was found to be lower for bis-BODIPY having bulky carbazole spacers and higher for bis-BODIPY having smaller furan spacers. Changing the spacer size clearly affected the spectroscopic properties of the bis-BODIPYs and red shifted absorption and emission maxima were observed for bis-BODIPYs with furan and thiophene spacers as compared to bis-BODIPYs with phenylene or bulky aromatic spacers.
机译：已经通过各种光谱技术合成并表征了通过噻吩，呋喃，N-烷基咔唑，三苯胺，对-和间-亚苯基桥接的一系列双-BODIPY 1-6。研究了双-BODIPYs的光谱性质随间隔物尺寸的变化而变化的情况。解析了三个含三苯胺，对-和间-亚苯基桥的双-BODIPY的X射线晶体结构。在三个bis-BODIPY的固态结构中观察到分子间C（H）中心点中心点中心点pi和pi中心点中心点中心点pi的堆叠相互作用。在所有三种化合物中，与它们相应的单体相比，间隔单元和两个硼联吡啶单元之间的二面角均较低。这表明分子中的两个硼联吡啶结构单元之间的相互作用增加，这又反映在其还原电位的阳极位移中。 DFT研究表明，在所有bis-BODIPY中，间隔基和两个硼联吡啶单元之间都存在有效的电子相互作用。发现具有大的咔唑间隔基的bis-BODIPY的计算的HOMO-LUMO间隙较低，而具有较小呋喃间隔基的bis-BODIPY的计算的HOMO-LUMO间隙较低。改变间隔物的大小显然会影响bis-BODIPY的光谱性质，与具有亚苯基或笨重的间隔基的bis-BODIPYs相比，具有呋喃和噻吩间隔物的bis-BODIPY观察到红移的吸收和发射最大值。

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