DFT Study on Regulating the Electronic Structure and CO2 Reduction Reaction in BiOBr/Sulphur-Doped G-C3N4 S-Scheme Heterojunctions

Photocatalytic CO2 reduction is a promising method to mitigate the greenhouse effect and energy shortage problem. Development of effective photocatalysts is vital in achieving high photocatalytic activity. Herein, the S-scheme heterojunctions composed by BiOBr and g-C3N4 with or without S doping are thoroughly investigated for CO2 reduction by density functional theory (DFT) calculation. Work function and charge density difference demonstrate the existence of a built-in electric field in the system, which contributes to the separation of photogenerated electron-hole pairs. Enhanced strength of a built-in electric field is revealed by analysis of Bader charge and electric field intensity. The results indicate that S doping can tailor the electronic structures and thus improve the photocatalytic activity. According to the change in absorption coefficient, system doping can also endow the heterojunction with increased visible light absorption. The in-depth investigation indicates that the superior CO2 reduction activity is ascribed to low rate-determining energy. And both of the heterojunctions are inclined to generate CH3OH rather than CH4. Furthermore, S doping can further reduce the energy from 1.23 to 0.44 eV, indicating S doping is predicted to be an efficient photocatalyst for reducing CO2 into CH3OH. Therefore, this paper provides a theoretical basis for designing appropriate catalysts through element doping and heterojunction construction

Study on the Absorption and Conduction Properties of Vanisulfane in Tobacco

The purposes of this study were to explore the systemic properties of vanisulfane in tobacco plant and to provide a reference for the rational use of vanisulfane in the field. After the tobacco plants were treated by hydroponics and foliar spraying, the contents of vanisulfane in root and stem leaf were detected by high-performance liquid chromatography tandem high-resolution mass spectrometry (UPLC-HRMS), and the position of vanisulfane in root and stem leaf was real-time observed through fluorescence two-photon confocal microscope. UPLC-HRMS results showed that the contents of vanisulfane in root and stem leaf gradually increased with the extension of processing time, and after 12 h treatment, the contents of vanisulfane in root and stem leaf reached the maximum levels of 31.95 and 0.215 mg/kg, respectively. In addition, fluorescence two-photon confocal microscope results showed that vanisulfane could observe in the root and stem leaf. These results showed that vanisulfane had excellent upward and downward of systemic in tobacco plants, which is helpful to guide a reference for the rational use of vanisulfane in the field

Copper Catalyzed Cross-Coupling of Iodobenzoates with Bromozinc-difluorophosphonate

A copper-catalyzed cross-coupling of iodobenzoates with bromozinc-difluorophosphonate, generated from diethyl bromodifluoromethylphosphonate and zinc in dioxane, is reported. The notable features of this reaction are its high reaction efficiency, excellent functional group compatibility, and operational simplicity. This protocol provides a useful and facile access to aryldifluorophosphonates of interest in life science

A Novel Demulsifier with Strong Hydrogen Bonding for Effective Breaking of Water-in-Heavy Oil Emulsions

In the heavy petroleum industry, the development of efficient demulsifiers for the effective breaking of interfacially active asphaltenes (IAA)-stabilized water-in-heavy oil (W/HO) emulsions is a highly attractive but challenging goal. Herein, a novel nitrogen and oxygen containing demulsifier (JXGZ) with strong hydrogen bonding has been successfully synthesized through combining esterification, polymerization and amidation. Bottle tests indicated that JXGZ is effectual in quickly demulsifying the IAA-stabilized W/HO emulsions; complete dehydration (100%) to the emulsions could be achieved in 4 min at 55 °C using 400 ppm of JXGZ. In addition, the effects of demulsifier concentration, temperature and time on the demulsification performance of JXGZ are systematically analyzed. Demulsification mechanisms reveal that the excellent demulsification performance of JXGZ is attributed to the strong hydrogen bonding between JXGZ and water molecules (dual swords synergistic effect under hydrogen bond reconstruction). The interaction of the “dual swords synergistic effect” generated by two types of hydrogen bonds can quickly break the non-covalent interaction force (π-π stacking, Van der Waals force, hydrogen bonds) of IAA at the heavy oil–water interface, quickly promote the aggregation and coalescence of water molecules and finally achieve the demulsification of W/HO emulsions. These findings indicate that the JXGZ demulsifier shows engineering application prospects in the demulsification of heavy oil–water emulsions, and this work provides the key information for developing more efficient chemical demulsifiers suitable for large-scale industrial applications

Pd-Catalyzed Direct Arylation of Polyfluoroarenes on Water under Mild Conditions Using PPh₃ Ligand

We report a Pd-catalyzed direct arylation of polyfluoroarenes with aryl iodides. The advantages of this reaction are its high reaction efficiency, excellent functional group compatibility, mild reaction conditions (70 °C), inexpensive PPh₃ ligand, and use of pure water as reaction medium. The usefulness of this reaction has also been demonstrated by rapid preparation of highly functionalized polyfluoroarenes via iterative Pd-catalyzed C–H bond functionalization

Pd-Catalyzed Dehydrogenative Cross-Coupling of Polyfluoroarenes with Heteroatom-Substituted Enones

The first example of intermolecular regioselective α-arylation of heteroatom-substituted enones with polyfluoroarenes via twofold C–H bond functionalization using a palladium catalyst is reported. This approach provides rapid access to a wide range of α-fluoroarylated enones of interest in life science

Pd-Catalyzed Dehydrogenative Cross-Coupling of Polyfluoroarenes with Heteroatom-Substituted Enones

The first example of intermolecular regioselective α-arylation of heteroatom-substituted enones with polyfluoroarenes via twofold C–H bond functionalization using a palladium catalyst is reported. This approach provides rapid access to a wide range of α-fluoroarylated enones of interest in life science