Singh Neetika, Aazam Elham S, Riaz Ufana
Materials Research Laboratory, Department of Chemistry,Jamia Millia Islamia, New Delhi 110025, India.
Chemistry Department, Faculty of Science, King Abdul Aziz University, Jeddah 23622, Saudia Arabia.
ACS Omega. 2021 Oct 13;6(42):27833-27841. doi: 10.1021/acsomega.1c03459. eCollection 2021 Oct 26.
With a view to design novel conjugated oligomers via a facile technique for its possible application in sensors, the present work reports oligomerization of Bismarck Brown (BB) dye with luminol. The structure was confirmed via IR studies, while the electronic transitions were confirmed by UV-visible studies. Morphological studies were carried out via SEM. Computational studies were carried out using the DFT method with a B3LYP 6-311G(d) basis set to investigate the optimized geometry, band gap, and vibrational and electronic transitions data. The HOMO-LUMO energies showed significant reduction in the band gap upon increasing the content of BB dye. The computational IR and UV spectra were noticed to be in close agreement with the experimental results. Spectrophotometric determination of Li ion was attempted using lithium chloride and a lithium carbonate drug commonly used in the treatment of bipolar disorder. The detection limit was noticed to be as low as 5.1 × 10 M, which could be used to design a Li ion sensor.
为了通过一种简便技术设计新型共轭低聚物以用于传感器的可能应用，本工作报道了俾斯麦棕（BB）染料与鲁米诺的低聚反应。通过红外光谱研究确认了结构，而通过紫外可见光谱研究确认了电子跃迁。通过扫描电子显微镜进行了形态学研究。使用密度泛函理论（DFT）方法和B3LYP 6 - 311G(d)基组进行了计算研究，以研究优化的几何结构、带隙以及振动和电子跃迁数据。随着BB染料含量的增加，最高占据分子轨道（HOMO）-最低未占据分子轨道（LUMO）能量显示带隙显著降低。计算得到的红外光谱和紫外光谱与实验结果密切吻合。尝试使用氯化锂和常用于治疗双相情感障碍的碳酸锂药物进行锂离子的分光光度测定。检测限低至5.1×10 M，可用于设计锂离子传感器。
