Preparation, characterization, and photoluminescent and semiconductive properties of an iron compound.
- Resource Type
- Article
- Authors
- Luo, Qiuyan; Chen, Yang-Qing; Peng, Hai-Qi; Ji, Qiong; Wang, Xuan-Xuan; Wei, Lijun; Zhong, Qiu-Yue; Chen, Wen-Tong
- Source
- Inorganic & Nano-Metal Chemistry. Jan2022, p1-6. 6p. 8 Illustrations, 2 Charts.
- Subject
- Language
- ISSN
- 2470-1556
Abstract One iron compound {[Fe(bipy)3]2(SO3)(OH)4}·14H2O (1) (bipy = 2,2'-bipyridine) has been obtained from a hydrothermal reaction and structurally characterized by single-crystal X-ray diffraction. Compound 1 is characterized by an isolated (0D) structure and the iron center is coordinated by six nitrogen atoms of three bipy molecules to yield an octahedron. Photoluminescence investigation shows that compound 1 displays an emission in the green region. Time-dependent density functional theory (TDDFT) calculation reveals that the photoluminescent emission can be assigned to the ligand-to-metal charge transfer (LMCT) (from the HOMO of the bipy to the LUMO of the iron). Solid-state diffuse reflectance spectra discover that compound 1 features a narrow optical band gap of 1.82 eV, indicating that it is a potential narrow band gap semiconductor. [ABSTRACT FROM AUTHOR]