A Novel Pyridine‐Derived Metal–Organic Framework Exhibiting Yellow‐Green Luminescence

A novel metal–organic framework (MOF) based on pyridine‐derived linkers was rationally designed and successfully synthesized. Its crystal structure was determined by single‐crystal X‐ray diffraction, revealing a layered structure with an AAA stacking arrangement. Thermogravimetric analysis indicated that MOF 1 remains structurally intact up to 330 °C. MOF 1 also exhibits favorable photoluminescence properties, displaying yellow‐green emission. Its luminescence mechanism was further elucidated through time‐dependent density functional theory (TD‐DFT) calculations. UV–vis adsorption spectroscopy, together with theoretical calculations was employed to investigate its electronic structure and optical properties.