掺杂 Mn2+ 的 L 组氨酸-4-硝基苯酚单晶的局部结构和光学研究

IF 1.7 4区 化学 Q3 CHEMISTRY, ANALYTICAL
Maroj Bharati, Vikram Singh, Ram Kripal
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引用次数: 0

摘要

背景:评估掺杂 Mn2+ 离子的 L 组氨酸-4-硝基酚单晶的零场分裂参数:利用叠加模型和扰动理论获得掺杂 Mn2+离子的 LHPP 单晶的零场分裂参数。将叠加模型中的晶体场参数输入晶体场分析程序,计算出系统的光学光谱。结果:在考虑了局部畸变的情况下,所评估的零场分裂参数与实验值非常吻合。Mn2+ 离子在间隙位置进入 L 组氨酸-4-硝基苯酚-4-硝基酚晶格的实验结果得到了理论结果的支持。结论研究发现,计算带位置与实验带位置相当吻合。因此,理论研究支持了实验观察结果。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Local Structure and Optical Studies of Mn2+ Doped L-histidine-4-nitrophenolate 4-nitrophenol Single Crystal
Background: The zero-field splitting parameters of Mn2+ doped L-histidine-4- nitrophenolate 4-nitrophenol single crystals are evaluated Methods: The superposition model and perturbation theory are used to obtain zero-field splitting parameters for Mn2+ ion-doped LHPP single crystals. The optical spectra of the system are computed using the crystal field parameters from the superposition model as input into the crystal field analysis program. Results: The evaluated zero field splitting parameters are in good match with the experimental values when local distortion is taken into account. The experimental finding that the Mn2+ ion enters the L-histidine-4-nitrophenolate 4-nitrophenol lattice at the interstitial position is supported by the theoretical result. Conclusion: It is found that the calculated and experimental band positions agree fairly well. Thus, the theoretical study supports the experimental observation.
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来源期刊
Current Analytical Chemistry
Current Analytical Chemistry 化学-分析化学
CiteScore
4.10
自引率
0.00%
发文量
90
审稿时长
9 months
期刊介绍: Current Analytical Chemistry publishes full-length/mini reviews and original research articles on the most recent advances in analytical chemistry. All aspects of the field are represented, including analytical methodology, techniques, and instrumentation in both fundamental and applied research topics of interest to the broad readership of the journal. Current Analytical Chemistry strives to serve as an authoritative source of information in analytical chemistry and in related applications such as biochemical analysis, pharmaceutical research, quantitative biological imaging, novel sensors, and nanotechnology.
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