Conejo-Rodríguez Verónica, Peñas-Defrutos Marconi N, Espinet Pablo
IU CINQUIMA/Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, 47071-Valladolid, Spain.
Dalton Trans. 2019 Jul 16;48(28):10412-10416. doi: 10.1039/c9dt01618j.
Crystallographic and DFT examination of the metalloligands [AuAr(CNPy-4)] (Ar = C6F5 (1), C6F3Cl2-3,5 (2)) and their silver complexes Ag[AuAr(CNPy-4)]2 (3 and 4) support that the marked luminescence red-shifts observed on moving from 1 to 2, from 1,2 to 3,4, or upon grinding, are not caused by electronic differences (either by changing the aryls C6F5/C6F3Cl2, or by N coordination to silver), nor by non-existent AuAg interactions. They are always due to structural changes disturbing stronger π-π stackings in order to allow for shorter AuAu interactions.
对金属配体[AuAr(CNPy-4)]（Ar = C6F5 (1)，C6F3Cl2-3,5 (2)）及其银配合物Ag[AuAr(CNPy-4)]2（3和4）进行晶体学和密度泛函理论研究表明，从1到2、从1,2到3,4移动时或研磨后观察到的明显发光红移，不是由电子差异（无论是通过改变芳基C6F5/C6F3Cl2，还是通过氮与银配位）引起的，也不是由不存在的金-银相互作用引起的。它们总是由于结构变化扰乱了更强的π-π堆积，以便实现更短的金-金相互作用。
