化学
光致变色
氨
含时密度泛函理论
离子
青色
间苯二甲酸
指示
密度泛函理论
超分子化学
发光
光化学
水溶液中的金属离子
有机化学
结晶学
计算化学
晶体结构
对苯二甲酸
视觉艺术
艺术
物理
聚酯纤维
光电子学
作者
Jingying Chu,Yuling Mao,Xinyue Ma,Baili Zhu,Miao Li,Yimeng Zheng,Minghui Zuo,Shuxin Cui
标识
DOI:10.1016/j.molstruc.2024.137937
摘要
Two new Zn (II)-viologen chromic compounds, named {[(4-BCBPY)0.5(HIPA)]·H2O}n (1) and {[Zn3(IPA)4(4-BCBPY)]·2H2O}n (2) (4-BCBPY2+ = 1,1'-bis(4-cyanobenzyl)-4,4'-bipyridinium dication, H2IPA = isophthalic acid) have been synthesized through varying reaction conditions. Structural analysis reveals that compound 1 possesses a supramolecular compound, while compound 2 exhibits a metal-organic framework (MOF) structure built from trinuclear metal building units. Under the irradiation of a 300 W Xe lamp, compound 1 undergoes a color change from orange to brown, while compound 2 transitions from yellow to green. The introduction of metal ions in compound 2 enhances its light response rate compared to compound 1. Additionally, compound 2 displays a visible color change in the presence of ammonia, whereas compound 1 does not exhibit this capability. Meanwhile, the stable product 2P of 2 was obtained through irradiation, and the structural differences between 2 and 2P were analyzed. Furthermore, the study of time-dependent density functional theory (TDDFT) provides theoretical support for understanding the properties of 1 and 2. Both compounds exhibit intriguing photomodulated luminescence properties and demonstrate remarkable sensing abilities toward Cr2O72−. Notably, the introduction of metal ions was found to modulate the photochromic behavior as well as the ammonia/anion sensing properties of these compounds.
科研通智能强力驱动
Strongly Powered by AbleSci AI