Optical sensors for detection of nano-molar Zn2+ in aqueous medium: Direct evidence of probe- Zn2+ binding by single crystal X-ray structures

Structural and Optical Characterization of ZnS Ultrathin Films Prepared by Low-Temperature ALD from Diethylzinc and 1.5-Pentanedithiol after Various Annealing Treatments

“…Moreover, a significant transmittance of ~70% at around 540 nm [42] and ~90% at around 550 nm [43] was observed for the ZnS layer thickness of 64 and 40 nm, respectively. The broad minimum at around 500 nm in the reflectance spectra of un-annealed ZnS was most probably related with the absorption of the light by Zn 2+ ions [44,45,46,47]. After annealing of the samples, the reflectance dip shifted to the UV region and became more narrow, with the reflectance values close to zero.…”

Understanding the Deactivating/Activating Mechanisms in Three Optical Chemosensors Based on Crown Ether with Na+/K+ Selectivity Using Quantum Chemical Tools

“…In this sense, the understanding of the transduction mechanisms in analytes sensing is an important factor towards achieving this goal. As these mechanisms depend on the careful tuning of the electronic and molecular structure of the sensors, theoretical calculations have been a powerful tool in understanding and predicting the electronic properties and the transduction mechanisms in the recognition of several analytes like metal ions, [25,33,37,38] anions, [39][40][41] pH, [15,42] contaminant and/or explosive organic compounds. [25,43] Additionally, computational studies have been based mainly on the analysis of the frontier molecular orbital (FMO) energy and the molecular structures employing the Density Functional Theory (DFT) and Time-Dependent Density Functional Theory (TD-DFT) methods.…”

“…In this sense, the understanding of the transduction mechanisms in analytes sensing is an important factor towards achieving this goal. As these mechanisms depend on the careful tuning of the electronic and molecular structure of the sensors, theoretical calculations have been a powerful tool in understanding and predicting the electronic properties and the transduction mechanisms in the recognition of several analytes like metal ions, [25,33,37,38] anions, [39–41] pH, [15,42] contaminant and/or explosive organic compounds [25,43]…”