In this work, the adsorption and freezing/melting processes on activated carbons of different chemical nature (different concentrations of oxygen surface groups) were investigated. The role of solvents (cyclohexane and water) in the adsorption of three benzene derivatives - phenol (P), 4-nitrophenol (4-NP), and nitrobenzene (NB) - was examined. To understand the mechanism of adsorbent-adsorbate-solvent interactions better thermal analysis (TA) coupled with quadrupole mass spectrometry (QMS) was applied. The water freezing/melting effects of chemically and thermally modified activated carbons in the pore system were investigated using differential scanning calorimetry (DSC). For all used adsorbates, higher values of adsorption capacities were found for systems with water as a solvent compared to those with cyclohexane due to divergent adsorbent-adsorbate-solvent interactions. Moreover, for cyclohexane solutions, the adsorption capacities are as follows: P < NB < 4-NP, while, for aqueous solutions, they are: P < 4-NP < NB. A much slower kinetic rate was observed in the case of systems with cyclohexane as an effect of the strong interactions of the nonpolar solvent with adsorbates and activated carbons. Thermal analysis confirmed the differentiation of adsorption mechanisms in the studied systems. DSC studies allowed us to find correlations between freezing/melting temperatures and the concentration of the surface oxygen groups in carbons. The increase in water freezing/melting temperatures is mainly related to the removal of the surface oxygen groups in activated carbons (a decrease in the concentration of surface oxygen groups), which also affects the increase in the specific surface area ().
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http://dx.doi.org/10.1039/d4cp04562a | DOI Listing |
Inorg Chem
March 2025
Institutes of Physical Science and Information Technology, Anhui University, Hefei 230601, China.
The direct catalytic C-H functionalization of aromatic compounds such as anisoles and thioanisoles is of great interest and significance. However, achieving precise regioselectivity remains a major challenge. In this study, we conducted comprehensive density functional theory calculations to explore the mechanisms of rare-earth-catalyzed regioselective C-H alkylation, borylation, and silylation of anisole and thioanisole.
View Article and Find Full Text PDFJ Am Chem Soc
March 2025
Institute for Decarbonization Materials, University of California, Berkeley, California 94720, United States.
The efficient removal of CO from exhaust streams and even directly from air is necessary to forestall climate change, lending urgency to the search for new materials that can rapidly capture CO at high capacity. The recent discovery that diamine-appended metal-organic frameworks can exhibit cooperative CO uptake via the formation of ammonium carbamate chains begs the question of whether simple organic polyamine molecules could be designed to achieve a similar switch-like behavior with even higher separation capacities. Here, we present a solid molecular triamine, 1,3,5-tris(aminomethyl)benzene (TriH), that rapidly captures large quantities of CO upon exposure to humid air to form the porous, crystalline, ammonium carbamate network solid TriH(CO)·HO (TriHCO).
View Article and Find Full Text PDFChempluschem
March 2025
Vrije Universiteit Amsterdam, Chemistry & Pharmaceutical Sciences, De Boelelaan 1083, 1081 HV, Amsterdam, NETHERLANDS, KINGDOM OF THE.
We have quantum chemically investigated the catalytic effect of hydrogen bonding organocatalysts, (H2N)2C=X (X = O, S, Se, NH, PH, AsH, CH2, SiH2 GeH2), such as urea, on the classic Diels-Alder reaction. All studied hydrogen bond donor catalysts enhance the Diels-Alder reaction between acrolein and 1,3-butadiene to a similar extent. Our activation strain and Kohn-Sham molecular orbital analyses show that these organocatalysts lower the reaction barrier by polarizing the p-orbitals away from the reactive carbon atoms of acrolein, reducing the Pauli repulsion between the reactants.
View Article and Find Full Text PDFPLoS One
March 2025
Food Technology and Process Engineering, Oda Bultum University, Chiro, Ethiopia.
This study investigates the synthesis and characterization of Plant-Ag-graphene nanocomposites through a combination of spectroscopic and microscopic techniques, the nanocomposites were formed by catalyzing silver nanoparticles with plant extracts, and the resulting structures were analyzed using advanced instrumentation. In the FTIR analysis, distinctive peaks were observed at 3340 cm⁻1 (O-H stretching), 1740 cm⁻1 (C = O stretching), and 1050 cm⁻1. When compared to silver nanoparticles, the nanocomposites exhibited altered peak intensities, indicating modifications in chemical bonding.
View Article and Find Full Text PDFNanoscale
March 2025
Key Laboratory of Materials for High Power Laser, Shanghai Institute of Optics and Fine Mechanics, Chinese Academy of Sciences, Shanghai 201800, China.
The confined synthesis of carbon dots (CDs) in solid matrixes is a promising avenue for developing new afterglow materials. Benefiting from the advantages of the sol-gel preparation of nanoporous glass, we report transparent glass-confined CDs with tunable afterglow luminescence. Switchable thermally-activated delayed fluorescence (TADF) and room-temperature phosphorescence (RTP) of CDs were achieved by adjusting the sintering temperature and ion doping.
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