Royo David, Moreno Sonia, Rodríguez-Castillo María, Monge Miguel, Olmos M Elena, Zubkov Fedor I, Pronina Anastasia A, Mahmoudi Ghodrat, López-de-Luzuriaga José M
Departamento de Química, Instituto de Investigación en Química (IQUR), Complejo Científico Tecnológico, Madre de Dios 53, Universidad de La Rioja, 26006 Logroño, Spain.
Department of Organic Chemistry, RUDN University, 6 Miklukho-Maklaya St, Moscow, 117198, Russia.
Dalton Trans. 2024 Mar 5;53(10):4652-4661. doi: 10.1039/d3dt04161a.
The polymeric linear chain [AuTl(CCl)] reacts with three terpyridine-type ligands substituted with thiophene groups containing N-donor centres in different relative positions (L1, L2 and L3), leading to the Au(I)/Tl(I) complexes [AuTl(CCl)(L1)] (1), [{AuTl(CCl)}(L2)] (2) and [AuTl(CCl)(L3)] (3). X-Ray diffraction studies reveal that L1 acts as a chelate, while L2 and L3 act as bridging ligands, resulting in different coordination indexes for the thallium(I) centre. These structural differences strongly influence their optical properties, and while compounds 2 and 3 emit near the limit of the visible range, complex 1 emits in the infrared region. DFT calculations have also been carried out in order to determine the origin of the electronic transitions responsible for their optical properties.
聚合线性链[AuTl(CCl)]与三种在不同相对位置含有氮供体中心且被噻吩基团取代的三联吡啶型配体（L1、L2和L3）反应，生成Au(I)/Tl(I)配合物[AuTl(CCl)(L1)]（1）、[{AuTl(CCl)}(L2)]（2）和[AuTl(CCl)(L3)]（3）。X射线衍射研究表明，L1作为螯合配体，而L2和L3作为桥联配体，导致铊（I）中心具有不同的配位指数。这些结构差异强烈影响它们的光学性质，化合物2和3在可见光范围极限附近发射，而配合物1在红外区域发射。还进行了密度泛函理论计算，以确定导致其光学性质的电子跃迁的起源。
