期刊
DYES AND PIGMENTS
卷 188, 期 -, 页码 -出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.dyepig.2021.109196
关键词
Host-guest; MOFs; Hexyl viologen; Photochromism; Electron transfer
资金
- Transformation of Scientific and Technological Achievements Programs of Higher Education Institutions in Shanxi [2020CG032]
- Linfen Key Research and Development Projects (Social Development) [1909]
- Cultivation Plan of Young Scientific Researchers in Higher Education Institutions of Shanxi Province, Scientific and Technological Innovation Programs of Higher Education Institutions in Shanxi [2019L0469]
- Fund for Shanxi 1331 Project
Two host-guest two-dimensional (2D) MOFs based on N,N'-bis(n-hexyl)-4,4'-bipyridinium dibromide were prepared and showed photochromic properties. The electronic structures and matching rules between donors and receptors were explored using density functional theory.
Two host-guest two-dimensional (2D) MOFs based on N,N'-bis(n-hexyl)-4,4'-bipyridinium dibromide (HVBr2) were prepared {(HV)(0.5)(C2H8N)[Zn3O(m-BDC)(3)(H2O)(2)]center dot DMF}(n) (1), {(HV)[Cd-3(m-BDC)(4)(H2O)(2)]center dot DMF center dot 4H(2)O}(n) (2) (m-H2BDC = 1,3-benzenedicarboxylic acid), which were investigated on the basis of crystal structures, chromic properties, and molecular orbitals. Each metal ion connects m-BDC2- ligands to form a 2D anionic framework, which is constructed in a grid-like square cavities with the intersections of HV2+ cations to achieve charge balance. MOFs 1 and 2 each exhibit photochromic properties. The B3LYP/6-311 (d,p) method of density functional theory (DFT) was applied to explore electronic structures and matching rules between donors and receptors. The results indicate that the balance between electron transfer and photochromic properties is achieved by the regulation of receptors and donors.
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