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Rapid detection of toxic ions has taken great attention in the last few decades due to its importance in maintaining a greener environment for human beings. The extreme toxicity of cyanide (CN-) ions is a great environmental concern as its continued industrial use generates interest in facile and sensitive methods for CN- ions detection. Since CN- ions act as a ligand in coordination chemistry which rapidly coordinates with suitable metals and forms complexes, this ability was mainly explored in its detection. It also attacks the central metal in coordination compounds and gives a fluorimetric response. Coordination compounds behave as a sensor for the detection of important ions like CN- ions and have gained great attention due to their facile synthesis, multianalyte detection, clear detection and low detection limit. Recently, considerable efforts have been devoted to the detection and quantification of hazardous multianalyte using a single probe. Cu2+ complexes are the main complexes used for CN- ions detection; however, the complexes of many other metals are also used as sensors. Four basic types of interaction have been discussed in coordination compound sensors for CN- detection. The performances of different sensors are compared with one another and the sensors which have the lowest detection limit are highlighted. This review comprises the progress made by coordination compounds as sensors for the detection of CN- ions in the last six years (2015-2021). To the best of our knowledge, there is no review on coordination compounds as a sensor for CN- ions during this period. [ABSTRACT FROM AUTHOR]

To maintain a green and sustainable environment for human beings, rapid detection of potentially toxic heavy metals like mercury (Hg(II)) has attracted great attention. Recently, sensors have been designed which can selectively detect Hg(II) over other common available cations and give a naked eye or fluorometric response. In the last two decades, the trend is shifting from bulky organic chemosensors toward nanoparticles due to their rapid response, low cost, eco-friendly and easy synthesis. In this review, promising nanoparticles-based sensors for Hg(II) detection are discussed. The nano-sensors are functionalized with nucleotide or other suitable materials which coordinate with Hg(II) ions and give clear color or fluorescence change. The operational mechanisms are discussed focusing on its four basic types. The nanoparticles-based sensors are even able to detect Hg in three different oxidation states (Hg(II), Hg(I) and Hg(0)). Recently, the trend has been shifted from ordinary nanoparticles to magnetic nanoparticles to simultaneously detect and remove Hg(II) ions from environmental samples. Furthermore, the nano-sensors for Hg(II) are compared with each other and with the reported organic chemosensors. [ABSTRACT FROM AUTHOR]

In this research study, the triplumbic tetroxide (Pb3O4)/tricobalt tetroxide (Co3O4) nanocomposites (NCs) were synthesized by using the modified process of inverse microemulsion for electrochemical applications. The cyclic voltammetry results indicated that the NCs exhibited excellent results in terms of the capacitance (with the highest specific capacitance and energy density values of 892.01 F g−1 and 60.70 W h g−1 respectively) for electrochemical applications. Moreover, after 4000 cycles, more than 89% capacitance was sustained for Pb3O4/Co3O4 composite representing their excellent stability. The enhanced supercapacitive properties of these NCs were ascribed to the development of the nanomaterials having a high surface area to volume ratio, enhanced conductivities, and good specific capacitance values acquired by modulating the Co3O4 content in the NCs. [ABSTRACT FROM AUTHOR]

This protocol presents a complete theoretical study on the substituted benzalacetophenone molecules. In this study, eighteen chalcone derivatives 1–18 were evaluated with respect to their first‐ and second‐order hyperpolarizability parameters. For this purpose, the molecular geometries of 1–18 were optimized using set 631 g (d,p) and hybrid functional B3LYP. Spectroscopic characterizations for 1–18 were executed through the calculations of IR, UV‐Vis, 1H NMR and 13C NMR spectra. The quantum chemical parameters such as chemical potential, chemical hardness, electronegativity and electrophilicity indexes were obtained using the frontier molecular orbital (FMO) energies. The potential energy distribution (PED) analysis was used to provide a detailed assignment of vibrational bands. Important contributions to electronic absorption bands from FMOs were also evaluated. The distribution of FMOs to the whole molecule was investigated to determine the nature of electronic charge transfers in the target structures. The static and dynamic first‐ and second‐order hyperpolarizability parameters for 1–18 were calculated by using CAM‐B3LYP/6‐31++G(d,p). The static β and γ were calculated at the ranges of 1.348–2.967×10−29 esu and 82.50–136.2×10−36 esu. This wide range of β and γ values indicates that chalcone derivatives with rational substitution may be promising candidates for first‐ and second‐order NLO applications. The findings of this study contribute to the understanding of the relationships between molecular structure and non‐linear optical properties, thus paving the way for the design of new materials with improved non‐linear optical properties. [ABSTRACT FROM AUTHOR]