Gusev Alexey, Braga Elena, Zamnius Ekaterina, Kiskin Mikhail, Kryukova Mariya, Baryshnikova Alina, Minaev Boris, Baryshnikov Gleb, Ågren Hans, Linert Wolfgang
N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences Moscow 119991 Russia
Institute of Chemistry, Saint Petersburg State University Universitetskaya Nab. 7/9 Saint Petersburg 199034 Russia.
RSC Adv. 2019 Jul 16;9(38):22143-22152. doi: 10.1039/c9ra02491c. eCollection 2019 Jul 11.
A series of Zn(ii) complexes with 5-(4--phenyl)-3-(pyridin-2-yl)-1,2,4-triazoles have been synthesized and subsequently characterized by single crystal X-ray diffraction, H-NMR, FT-IR spectroscopy, elemental analyses, ESI-MS, and PXRD. The X-ray diffraction analyses revealed that the complexes have a similar molecular structure and their supramolecular frameworks are constructed by hydrogen bonds and π⋯π interaction scaffolds. Upon irradiation with UV light, the studied complexes display deep blue emission at 396-436 nm in the solid state. The compounds show an unexpected excitation-dependent emission phenomenon which is detected by a change in the emission color (from blue to yellow) upon increase of the excitation wavelength. The conducted quantum-chemical calculations indicate that supramolecular differences in the single-crystal architecture of the synthesized complexes play a crucial role for this photophysical behaviour.
合成了一系列含有5-(4-苯基)-3-(吡啶-2-基)-1,2,4-三唑的锌(ii)配合物，随后通过单晶X射线衍射、H-NMR、傅里叶变换红外光谱、元素分析、电喷雾电离质谱和粉末X射线衍射对其进行了表征。X射线衍射分析表明，这些配合物具有相似的分子结构，其超分子框架由氢键和π⋯π相互作用支架构成。在用紫外光照射时，所研究的配合物在固态下于396 - 436 nm处呈现深蓝色发射。这些化合物表现出一种意想不到的激发依赖发射现象，该现象通过激发波长增加时发射颜色的变化（从蓝色变为黄色）来检测。进行的量子化学计算表明，合成配合物单晶结构中的超分子差异对这种光物理行为起着关键作用。
