化学
离子
自然键轨道
水溶液中的金属离子
结晶学
四方晶系
反铁磁性
X射线光电子能谱
无机化学
晶体结构
计算化学
核磁共振
密度泛函理论
凝聚态物理
物理
有机化学
作者
Diksha Malik,Srinivasan Natarajan
标识
DOI:10.1002/ejic.202300305
摘要
Abstract The non ‐ centrosymmetric tetragonal inverse spinel structure of LiZnNbO 4 has been explored with a view to prepare new colored compounds. The substitution of Co 2+ , Ni 2+ , Fe 2+ , Mn 2+ , and Cu 2+ ions were attempted in the place of Zn 2+ ions and Sb 5+ ions in place of Nb 5+ ions. The studies indicated that 0.75 Zn 2+ ions in LiZnNbO 4 can be replaced by Co 2+ ions and 0.5 Zn 2+ ions in LiZnNb 0.5 Sb 0.5 O 4 compound. The substitution of Co 2+ ions gives rise to different shades of blue color in Li(Zn 1‐x Co x )NbO 4 compounds and from ink blue to blue‐green color in Li(Zn 1‐x Co x )(Nb 0.5 Sb 0.5 )O 4 compounds. The different colors observed in the present study were explained by the traditional allowed d‐d transitions as well as the metal‐to‐metal charge transfer (MMCT) transitions involving Nb 5+ (4 d 0 ) ions and partially filled 3 d electrons. The SHG studies indicate that the prepared compounds are SHG active. All the compounds exhibit reasonable dielectric behavior with low loss. The XPS studies confirm the oxidation states of the different substituted ions. Raman studies indicate variations in the bands due to the substitutions in the parent LiZnNbO 4 phase. Magnetic studies on the Co 2+ ions substituted compounds suggest antiferromagnetic behavior.
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