Rodríguez-Gobernado Ainhoa, Blasco Daniel, Monge Miguel, López-de-Luzuriaga José M
Departamento de Química, Centro de Investigación en Síntesis Química (CISQ), Universidad de La Rioja, Madre de Dios 53, 26006 Logroño, Spain.
Molecules. 2023 Jul 27;28(15):5680. doi: 10.3390/molecules28155680.
Aggregating gold(I) complexes in solution through short aurophilic contacts promotes new photoluminescent deactivation pathways (aggregation-induced emission, AIE). The time dependence of spontaneous AIE is seldom studied. We examine the behavior of complex [Au(-hypoxanthinate)(PTA)] () in an aqueous solution with the aid of variable-temperature NMR, time-resolved UV-Vis and photoluminescence spectroscopy, and PGSE NMR. The studies suggest that partial ligand scrambling in favor of the ionic [Au(PTA)][Au(-hypoxanthinate)] pair followed by anion oligomerization takes place. The results are rationalized with the aid of computational calculations at the TD-DFT level of theory and IRI analysis of the electron density.
通过短程亲金相互作用在溶液中聚集金（I）配合物会促进新的光致发光失活途径（聚集诱导发光，AIE）。自发AIE的时间依赖性很少被研究。我们借助变温核磁共振、时间分辨紫外可见光谱和光致发光光谱以及PGSE核磁共振研究了配合物[Au（次黄嘌呤）（PTA）]（）在水溶液中的行为。研究表明，会发生有利于离子对[Au（PTA）][Au（次黄嘌呤）]的部分配体重排，随后阴离子发生低聚。借助理论TD-DFT水平的计算和电子密度的IRI分析对结果进行了合理解释。
