Istituto per la Sintesi Organica e la Fotoreattività, Consiglio Nazionale delle Ricerche (CNR-ISOF), Via Gobetti 101, 40129 Bologna, Italy.
Phys Chem Chem Phys. 2021 Aug 12;23(31):17049-17056. doi: 10.1039/d1cp02261j.
The photophysical properties of heteroleptic rotor-like Ru(ii) complexes containing both a cyclopentadienyl-type ligand and a hydrotris(indazolyl)borate chelating unit with a piano stool structure (Ar5L1-Ru-S1 and L3-Ru-S1) and their corresponding subunits have been investigated. The complexes show peculiar absorption features when compared with their related ligands or fragments. L3-Ru-S1 was found to be non-emissive, while Ar5L1-Ru-S1 showed a weak emission with a quantum yield of 0.27%. With the help of DFT calculations, we demonstrate that the new absorption features can be attributed to ruthenium-based charge transfer transitions which involve the π* orbitals of the phenyl substituents of the cyclopentadienyl ligand.
我们研究了含有茂型配体和具有钢琴凳结构的氢三(吲唑基)硼螯合单元的异双核类钌(II)配合物(Ar5L1-Ru-S1 和 L3-Ru-S1)及其相应的亚单位的光物理性质。与相关配体或片段相比,这些配合物表现出独特的吸收特征。与相关配体或片段相比,L3-Ru-S1 被发现没有发光性,而 Ar5L1-Ru-S1 则表现出微弱的发光,量子产率为 0.27%。借助 DFT 计算,我们证明了新的吸收特征可以归因于基于钌的电荷转移跃迁,其中涉及茂型配体的苯基取代基的π*轨道。