光致变色
小提琴手
含时密度泛函理论
光化学
化学
荧光
配体(生物化学)
配位聚合物
亚甲蓝
对苯二甲酸
亚甲基
密度泛函理论
发光
聚合物
材料科学
有机化学
光催化
计算化学
聚酯纤维
催化作用
生物化学
物理
受体
光电子学
量子力学
作者
Nannan Yuan,Jinhuan Yu,Yuanyuan Li,Ying Gao,Minghui Zuo,Shuxin Cui
标识
DOI:10.1016/j.inoche.2022.109214
摘要
A novel coordination polymer, named [Cd(HCOO)(pbpy)0.5(bdc)(H2O)]·3H2O (1), based on a new flexible viologen ligand 1,1′-[1,4-phenylenebis(methylene)]-bis(4,4′-bipyridinium) dichloride (pbpy·2Cl), Cd(NO3)2·4H2O and terephthalic acid (H2bdc) was synthesized. Compound 1 has good photosensitive activity and can also respond to sunlight at room temperature. And using time-dependent density functional theory (TDDFT) to study the discoloration mechanism of compound 1. Attractively, 1 has the ability to select and detect amines due to the electron-deficient properties of pbpy·2Cl. In addition, photocontrolled luminescence properties of 1, during the coloration-decoloration process, has been researched.
科研通智能强力驱动
Strongly Powered by AbleSci AI