Catalytic activity of C₆₀ fullerene nanowhisker-silver nanoprism composite for reduction of 2-nitrophenol

Density Function Theory Study of the Physicochemical Characteristics of 2-nitrophenol

“…It is possible to analyze the stability of the (C 6 H 5 NO 3 ) molecule and its chemical reactivity by using the energy BG between the HOMO and LUMO orbitals. However [28], the equation provides a foundation for making a theoretical determination of the electronegativity (χ), molecular softness ( 𝜎𝜎), and hardness (ɳ) as shown in equations ( 4), (5), and ( 6):…”

“…There was an appropriate intramolecular hydrogen bonding between ortho groups, so a decrease in the boiling and melting points were associated with the bonding [4]. 2-NP can be detected by a peak at 415 nm in the UV-vis spectrum [5]. 2-NP isomers are water soluble as a result of dissociation and are somewhat acidic in water [2,6].…”

“…methyl and ethyl parathion), leather treatment, for military purposes [9][10][11], in the synthesis of many drugs, weed killers [12], insecticides, pesticides, synthetic dyes [4,13], textiles [14]. Since 2-NP is widely employed in the manufacturing of pharmaceuticals, including antipyretic and analgesic treatments, the reduction of 2-NP to 2-aminophenol (2-AP) is a very beneficial chemical process [5]. One of the most potent explosives used to create lethal weapons is nitroarenes, 2,4,6-trinitrophenol (TNP), which has explosive properties and is a key ingredient in rocket fuel, fireworks, and analytical reagents [3].…”

“…2-NP is extremely toxic to the systems of living things; therefore, it is crucial to develop a quick, accurate, and useful method to determine it [6]. So far, numerous analytical techniques, including chromatography, electrophoresis [5][d], fluorescence [16], spectrometry, UV-vis spectroscopy [17], pencil graphite electrode [6], and electrochemical, have been improved to determine 2-NP. Among the mentioned methods, the electrochemical methods can be preferred due to their simple operation, low cost, rapid analysis, and more sensitive results, as well as a modified glassy carbon electrode (GCE) used to determine 2-NP.…”