Moreno Sonia, Royo David, El-Hachimi Abdel G, Rodríguez-Castillo María, Monge Miguel, Olmos M Elena, López-de-Luzuriaga José M
Departamento de Química, Universidad de La Rioja, Centro de Investigación en Síntesis Química (CISQ), Complejo Científico-Tecnológico, 26006 - Logroño, Spain.
Dalton Trans. 2023 Nov 28;52(46):17119-17131. doi: 10.1039/d3dt02000b.
The reaction among [AuAg(CF)(OEt)], PbCl and terpyridine leads to the polymeric complex [{Au(CF)}{Pb(terpy)}] (1). Its crystal structure reveals potential voids close to the lead centres large enough to hold different molecules. The availability of these free sites allows complex 1 to act as a VOC sensor. Thus, when 1 is exposed to different solvent vapours such as acetonitrile, toluene or THF, variations in its solid appearance and its photophysical properties are observed as a consequence of the formation of the new polymorphs [{Au(CF)}{Pb(terpy)(CHCN)}] (2), [{Au(CF)}{Pb(terpy)}]·Tol (3) and [{Au(CF)}{Pb(terpy)(THF)}]·THF (4). Each polymorph displays a different emission energy depending on its structure and the presence of metallophilic interactions. In addition, the reversible solvent molecule exchange allows the tuning of the luminescence emissions in the greenish yellow-red range. DFT and TD-DFT calculations were performed to explain the origin of the luminescence of all these complexes.
[AuAg(CF)(OEt)]、PbCl与三联吡啶之间的反应生成了聚合物配合物[{Au(CF)}{Pb(terpy)}] (1)。其晶体结构显示，铅中心附近存在足够大的潜在空隙，可容纳不同分子。这些自由位点的存在使配合物1能够用作挥发性有机化合物（VOC）传感器。因此，当1暴露于不同的溶剂蒸气，如乙腈、甲苯或四氢呋喃（THF）时，由于形成了新的多晶型物[{Au(CF)}{Pb(terpy)(CHCN)}] (2)、[{Au(CF)}{Pb(terpy)}]·Tol (3)和[{Au(CF)}{Pb(terpy)(THF)}]·THF (4)，其固体外观和光物理性质会发生变化。每种多晶型物根据其结构和亲金相互作用的存在显示出不同的发射能量。此外，可逆的溶剂分子交换使得能够在黄绿色 - 红色范围内调节发光发射。进行了密度泛函理论（DFT）和含时密度泛函理论（TD-DFT）计算以解释所有这些配合物发光的起源。
