In the present work, the mechanisms, thermochemistry and kinetics of the reaction of SO2 with O3− have been studied using the CCSD(T)/6-31G(d) + CF method. It has been shown that there exist two possible pathways A and B of the SO2 + O3− → SO3− + O2 reaction. The two pathways’ A and B barrier heights are 0.61 kcal mol−1 and 3.40 kcal mol−1, respectively, while the energy of the SO2 + O3− → SO3−...

Synthetic carbohydrate and glycoprotein mimics displaying sulfated saccharide residues have been assayed for their L-selectin inhibitory properties under static and flow conditions. Polymers displaying the L-selectin recognition epitopes 3',6-disulfo Lewis x(Glc) (3-O-SO3-Galbeta1alpha4(Fucalpha1alpha3)-6-O-SO3-Glcbeta+ ++-OR) and 3',6'-disulfo Lewis x(Glc) (3, 6-di-O-SO3-Galbeta1alpha4(Fucalph...

Heterogeneous reaction of carbonyl sulfide (OCS) on magnesium oxide (MgO) under ambient conditions was investigated by in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), quadrupole mass spectrometer (QMS), and density functional theory (DFT) calculations. It reveals that OCS can be catalytically hydrolyzed by surface hydroxyl on MgO to produce carbon dioxide (CO2) and...

Cyclic voltammetric studies were carried out on the deposition of polyaniline on pure aluminum from oxalic acid solution with and without different anions (CO3, SO3, SO4, DBS) and contribution of these anions to lyaniline film formation was investigated. Corrosion behavior of polyaniline coated aluminum in oxalic acid solution with and without different anions (CO3, SO3, SO4, DBS) has been inve...

Thermodynamics of reactions of vanadium oxide clusters with SO2 are studied at the BPW91/LANL2DZ level of theory. BPW91/LANL2DZ is insufficient to properly describe relative V-O and S-O bond strengths of vanadium and sulfur oxides. Calibration of theoretical results with experimental data is necessary to compute reliable enthalpy changes for reactions between VxOy and SO2. Theoretical results i...

Herein, we have investigated the adsorption behavior of gas molecules, including C2H2, H2S, SO2, SO3, and O2, on FeN3-doped graphene (FeN3-gra). The change geometric stability, electric structure, magnetic properties is discussed comprehensively. results demonstrated that stability substrate enhanced by hybridization between Fe N atoms in FeN3-gra. Besides, dopant can enhance ability gases grap...

Signatures of sulfur isotope mass-independent fractionation (S-MIF) have been observed in stratospheric sulfate aerosols deposited in polar ice. The S-MIF signatures are thought to be associated with stratospheric photochemistry following stratospheric volcanic eruptions, but the exact mechanism responsible for the production and preservation of these signatures is debated. In order to identify...