Catalano Vincent J, López-de-Luzuriaga José M, Monge Miguel, Olmos M Elena, Pascual David
Department of Chemistry, University of Nevada, Reno, NV 89557, USA.
Dalton Trans. 2014 Nov 21;43(43):16486-97. doi: 10.1039/c4dt02154a.
Reactions between [Au(C6Cl2F3)(tht)] and P,N-donor bridging ligands of the type PPh2py and (PPh2)2phen lead to the homonuclear gold complexes [Au(C6Cl2F3)(PPh2py)] (1) and [Au2(C6Cl2F3)2{(PPh2)2phen}] (2). Subsequent addition of Cu(CH3CN)4 leads to the formation of the corresponding gold-copper heterometallic complexes Au2Cu(C6Cl2F3)2(PPh2py)2 (3) and Au2Cu(C6Cl2F3)2{(PPh2)2phen)}(CH3CN) (4). The four complexes have been structurally characterized and are luminescent. The gold precursors show emissions arising from metal-perturbed intraligand transitions. The heterometallic complexes show a red shift of the emissions that is proposed to arise from an admixture of IL (intraligand) and MLCT (metal-to-ligand-charge-transfer) transitions. DFT and TD-DFT calculations agree well with these results.
[Au(C6Cl2F3)(tht)]与PPh2py和(PPh2)2phen类型的P,N供体桥连配体反应，生成同核金配合物[Au(C6Cl2F3)(PPh2py)] (1) 和[Au2(C6Cl2F3)2{(PPh2)2phen}] (2)。随后加入Cu(CH3CN)4，生成相应的金 - 铜异金属配合物Au2Cu(C6Cl2F3)2(PPh2py)2 (3) 和Au2Cu(C6Cl2F3)2{(PPh2)2phen)}(CH3CN) (4)。这四种配合物已通过结构表征且具有发光性。金前驱体显示出由金属扰动的配体内跃迁引起的发射。异金属配合物的发射出现红移，这被认为是由IL（配体内）和MLCT（金属到配体电荷转移）跃迁的混合引起的。DFT和TD - DFT计算结果与这些结果吻合良好。
