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Nitrobenzene

About: Nitrobenzene is a research topic. Over the lifetime, 5285 publications have been published within this topic receiving 83368 citations. The topic is also known as: essence of mirbane & nitrobenzol.


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Journal ArticleDOI
TL;DR: Surprisingly, the charge-transfer transition from the benzene moiety to the nitro group is found to be quenched by a flow of charge into the opposite direction induced by vibrational motion.
Abstract: Although nitrobenzene is the smallest nitro-aromatic molecule, the nature of its electronic structure is still unclear. Most notably, the lowest-energy absorption band was assessed in numerous studies providing conflicting results regarding its charge-transfer character. In this study, we employ a combination of molecular dynamics and quantum chemical methods to disentangle the nature of the lowest-energy absorption band of nitrobenzene. Surprisingly, the charge-transfer transition from the benzene moiety to the nitro group is found to be quenched by a flow of charge into the opposite direction induced by vibrational motion. Beyond clarifying the charge-transfer character of nitrobenzene, we show that the widely used approach of analyzing the ground-state minimum-energy geometry provides completely wrong conclusions.

26 citations

Journal ArticleDOI
TL;DR: In this article , the authors describe a straightforward high-temperature quenching approach to precisely construct isolated palladium atoms supported over cubic indium oxide, with individual palladium atom coordinated with four neighboring oxygen atoms.
Abstract: The realization of efficient and fully controllable synthesis of single atom catalysts is an exciting frontier, yet still challenging in the modern catalysis field. Here we describe a straightforward high-temperature quenching approach to precisely construct isolated palladium atoms supported over cubic indium oxide, with individual palladium atoms coordinated with four neighboring oxygen atoms. This palladium catalyst achieves exceptional catalytic efficiency in the selective hydrogenation of nitrobenzene to aniline, with more than 99% chemoselectivity under almost 100% conversion. Moreover, it delivers excellent recyclability, anti-CO poisoning ability, storage stability, and substrate tolerance. DFT calculations further reveal that the high catalytic activity stems from the optimized electronic structure and the charge states of palladium atoms in the defect-containing indium oxide. Our findings provide an effective approach to engineering single atom catalysts at the atomic level and open the door to a wide variety of catalytic reactions. • Pd single atoms supported over In 2 O 3 was created by a quenching approach. • DFT calculations reveal the support can provide anchoring sites for Pd atoms. • This catalyst shows high catalytic efficacy in hydrogenation of nitrobenzene. • The high catalytic activity stems from the unique coordination environment.

26 citations

Journal ArticleDOI
TL;DR: In this paper, the authors investigated the micro-amounts of strontium and barium extracted by a nitrobenzene solution of hydrogen dicarbollylcobaltate (H+B−) in the presence of dibenzo-24-crown-8 (DB24C8, L) has been investigated.
Abstract: Extraction of microamounts of strontium and barium by a nitrobenzene solution of hydrogen dicarbollylcobaltate (H+B−) in the presence of dibenzo-24-crown-8 (DB24C8, L) has been investigated. The equilibrium data have been explained assuming that the species HL+, HL2+, ML2+, ML22+ and MHL23+ (M2+ = Sr2+, Ba2+) are extracted into the organic phase. The values of extraction and stability constants of the complexes in nitrobenzene saturated with water have been determined. It was found that the stability constants of the cationic complex species BaL2+ and BaL22+ in the considered nitrobenzene medium are somewhat higher than those of the corresponding complexes SrL2+ and SrL22+.

26 citations

Journal ArticleDOI
TL;DR: In this article, a poly(Nisopropylacrylamide-co-methacrylic acid) microgels were used as catalysts for the reduction of nitrobenzene in aqueous media.
Abstract: Abstract Poly(N-isopropylacrylamide-co-methacrylic acid) microgels [p(NIPAM-co-MAAc)] were synthesized by precipitation polymerization of N-isopropylacrylamide and methacrylic acid in aqueous medium. These microgels were characterized by dynamic light scattering and Fourier transform infrared spectroscopy. These microgels were used as micro-reactors for in situ synthesis of copper nanoparticles using sodium borohydride (NaBH4) as reducing agent. The hybrid microgels were used as catalysts for the reduction of nitrobenzene in aqueous media. The reaction was performed with different concentrations of catalyst and reducing agent. A linear relationship was found between apparent rate constant (kapp) and amount of catalyst. When the amount of catalyst was increased from 0.13 to 0.76 mg/mL then kapp was increased from 0.03 to 0.14 min-1. Activation parameters were also determined by performing reaction at two different temperatures. The catalytic process has been discussed in terms of energy of activation, enthalpy of activation and entropy of activation. The synthesized particles were found to be stable even after 14 weeks and showed catalytic activity for the reduction of nitrobenzene.

26 citations

Journal ArticleDOI
TL;DR: In this article, the reduction of nitrobenzene at Mo electrodes has been observed over a wide range of pH values from 4.4 to 13.5, and the final reduction product is the four-electron reduction product, namely, phenylhydroxylamine.
Abstract: The reduction of nitrobenzene at Mo electrodes has been observed over a wide range of pH values from 4.4 to 13. Constant potential coulometry in conjunction with cyclic voltammetric studies show that under moderately alkaline and alkaline conditions, the final reduction product is the four‐electron reduction product, namely, phenylhydroxylamine. This is the first report of nitrobenzene reduction at a Mo electrode. © 1999 The Electrochemical Society. All rights reserved.

26 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
2023171
2022342
2021123
2020129
2019123
2018146