Mechi Hanen, Mantel Arthur, Mishra Vipin, Urano Yuto, Kitaura Ryo, Shiozawa Hidetsugu
J. Heyrovsky Institute of Physical Chemistry, Czech Academy of Sciences Dolejskova 3, 182 23 Prague 8 Czech Republic
Research Center for Materials Nanoarchitectonics, National Institute for Materials Science 1-1 Namiki Tsukuba 305-0044 Japan.
Mater Adv. 2025 Jul 3;6(17):5884-5891. doi: 10.1039/d5ma00400d. eCollection 2025 Aug 26.
Aggregation-induced optical phenomena are at the forefront of modern materials science. In this work, tetracyanoethylene (TCNE) is reacted and encapsulated within melamine. Crystallization from aqueous tetrahydrofuran solutions containing melamine and TCNE at varying concentrations yields colorful crystals exhibiting multi-wavelength fluorescence emission. Combined infrared spectroscopy and mass spectrometry reveal that the crystals are melamine doped with trace amounts of 1,1,2,3,3-pentacyanopropenide. Fluorescence excitation-emission spectral mapping elucidates the concentration dependence of fluorescence emission in both the precursor solutions and the resulting crystals. Density functional theory calculations attribute the observed multi-wavelength emission to dimers of the pentacyanopropenide. Encapsulating reactive molecules within crystalline melamine, as demonstrated with 1,1,2,3,3-pentacyanopropenide and its dimer, offers a versatile strategy for stabilizing a wide range of otherwise unstable species.
聚集诱导光学现象处于现代材料科学的前沿。在这项工作中，四氰基乙烯（TCNE）与三聚氰胺反应并被包裹在其中。从含有不同浓度三聚氰胺和TCNE的四氢呋喃水溶液中结晶，得到呈现多波长荧光发射的彩色晶体。红外光谱和质谱联用表明，这些晶体是掺杂有痕量1,1,2,3,3 - 五氰基丙烯化物的三聚氰胺。荧光激发 - 发射光谱映射阐明了前体溶液和所得晶体中荧光发射的浓度依赖性。密度泛函理论计算将观察到的多波长发射归因于五氰基丙烯化物的二聚体。如1,1,2,3,3 - 五氰基丙烯化物及其二聚体所示，将反应性分子包裹在结晶三聚氰胺中，为稳定各种原本不稳定的物种提供了一种通用策略。
