Journal of Sulfur Chemistry最新文献

The desulfurization effect of Ningxia Shuangma coal (SM) with an acetic acid-hydrogen peroxide system assisted by microwave, ultrasonic and ultraviolet light was compared. The results show that microwave-assisted desulfurization has the best effect. When the microwave power is 900W, the irradiation time is 5 min, and the volume ratio of acetic acid to hydrogen peroxide is 1:10, the desulfurization rate can reach 55.82%. Moreover, microwave-assisted desulfurization can effectively improve the removal effect of organic sulfur. XRD, XPS, SEM and other characterization showed that microwave assisted can effectively reduce the mineral content, expose more sulfur-containing groups, and improve the desulfurization effect. The desulfurization rate of three sulfur-containing compounds is: dibenzyl sulfide > diphenyl sulfoxide > benzothiophene. With the increase of intensity of the applied electric field, the C–S bond gets easier to fracture, the applied electric field can reduce the reaction energy barrier, is a benefit to the reaction.

A new synthetic protocol to give a variety of symmetric diaryl disulfides from odorless and easily available phenyl dimethylcarbamodithioates was developed. By using phenyl dimethylcarbamodithioates as organosulfur source, the target products were furnished smoothly through simple hydrolysis, giving a series of symmetric diaryl disulfides. The protocol features simple operation, odorless and easily available organosulfur source and high yield.

Coordination polymers (CPs) represent a potentially highly valuable class of materials for next-generation applications in heavy metal removal and as antibacterial agents. Ligands bearing sulfur donors are ideal candidates for the preparation of CPs for these applications since sulfur atom has lone pairs of electrons which could be donated to some metal ions, thereby binding the metals selectively; and it is also effective in disrupting bacterial functioning. Herein, we report, the synthesis of the crystal (1_crys) and the powder (1_powd) forms of the Zn(II)-based CP [Zn(TDPA)₂(TMPy)₂]_n (1) (where TDPA = 3,3-thiodipropionic acid and TMPy = 4,4-trimethylenedipyridine). Structural elucidation of the CPs – 1_crys and 1_powd were undertaken by means of FTIR, TGA and PXRD. The 1_powd was obtained in much higher yields than the 1_crys, and heavy metal removal behavior and antibacterial activity of the former were extensively investigated. Excellent removal capacities of 667 mg/g for Ag(I) and for Pb(II) by 1_powd in single batch studies were observed. Additionally, 1_powd inhibited the growth of six common bacterial strains and showed minimum inhibitory concentrations comparable to reported antibacterial agents. The efficiency of 1_powd for these applications is linked to the sulfur-containing ligand used in the construction of the CP and its polymeric structure. Overall, the ease of preparation, yield, outstanding heavy metal removal capacities and potency in inhibiting bacterial growth offers 1_powd as a highly adaptable and multifunctional material.

Although sulfur-containing polymers have been realized by various methods such as copolymerization and reverse vulcanization, there are few reports on the synthesis of supramolecular sulfur-containing polymers in which a supramolecular polymer is fused with a sulfur-containing polymer. Herein, we prepare a supramolecular sulfur-containig polymer by introducing a 2-ureido-4[1H]pyrimidinone (UPy) unit at both ends of linear sulfur and connecting between the UPys via hydrogen bonding.

The oxidation of a series of alkyl aryl sulfides promoted by the phthalimide N-oxyl radical (PINO) has been investigated by kinetic and product analysis. Sulfoxides are formed as major reaction products in the oxidation of thioanisoles and benzyl phenyl sulfides. The observation of fragmentation products in the oxidation of 2-phenyl-2-propyl phenyl sulfide and diphenylmethyl phenyl sulfide indicates that the reaction involves an initial electron transfer reaction from the sulfide to PINO with the formation of aryl sulfide radical cations and the anion PINO^-. Combination of the species then leads to a radical adduct precursor of sulfoxides while the rapid C–S cleavage occurs with aryl sulfide radical cations that can form the stable 2-phenyl-2-propyl or diphenylmethyl carbocation.

In the present study, the tautomeric process, intramolecular hydrogen bonding (IMHB), and π-electron delocalization (π-ED) of 2-selenoformyl-3-thioxo-propionaldehyde (STP) in the first singlet and triplet excited states were investigated by CIS and TD-DFT methods. The relative energies of hydrogen-bonded tautomers in both excited states indicate that the thiol/enol conformers are the most/least stable forms. In this regard, a detailed analysis of various tautomeric equilibriums, different types of hydrogen bonds, and π-electron delocalization was performed. The electronic energies of different tautomers indicate the thermodynamic preference of thiol with respect to the other forms. Furthermore, the low activation energy barriers of thione⇄thiol equilibrium also show the kinetic preference of thiol. On the other hand, the estimation of different hydrogen bond energies emphasizes the stronger IMHB of enol. Moreover, the evaluation of π-ED by the structural parameter of Gilli (λ) represents the significance of electron mobility in the enol conformers. Consequently, the duality between the IMHB and π-ED with the thermodynamic stability order of tautomers indicates that the tautomeric phenomenons play a dominant role in determining the stability of the benchmark structures in both singlet and triplet excited states.

A novel low-molecular-weight organogelator (1) based on thiacrown-cyclized tetrathiafulvalene has been synthesized through cross-coupling reaction of crown-fused 1,3-dithiole-2-one 3 and the thione 4 in the presence of triethyl phosphite. The molecular structure of 1 was fully characterized by nuclear magnetic resonance spectroscopy, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry, and infrared spectroscopy. Gel-forming-ability experiments showed that the gelator could only form an opaque gel in dimethyl sulfoxide by sonication. The xerogel morphology observed by scanning electron microscopy showed an amorphous wrinkled structure. The gel exhibited varied responses to various external stimuli, including temperature, chemical oxidation, anions, and Na⁺ ions.

This study's primary objective is to give a thorough examination of the comparative charge transport and optoelectronic characteristics of all conceivable isomers of benzodithiophene (BDT) and benzodiselenophene (BDSe). Density Functional Theory (DFT) simulations have been performed on all the possible isomers of benzodithiophene (BDT) and benzodiselenophene (BDSe) and results are compared with corresponding experimental known isomers. The absorption energies and HOMO–LUMO energy levels were predicted by Time-Dependent Density Functional Theory (TD–DFT). Electron and hole Reorganization Energies (RE), Hole Extraction Potential (HEP) and Electron Extraction Potential (EEP), Ionization Potentials (IP) and Electron Affinities (EA) of all the isomers are reported. The UV–visible absorption of BDT and BDSe isomers are between 250–417 nm and 290–445 nm respectively. Comparatively, the simulated hole and electron reorganization energy of all the BDT and BDSe isomers have low values and hence expected applications in the field of Organic Optoelectronic Devices.

In this work, a novel series of N and S-alkylated derivatives of 1-phenyl tetrazole-5-thione were synthesized by Michael addition in organic salt media TBAB (Tetrabutylammonium bromide) using inorganic base K₂CO₃ under solvent-free conditions. The new and conveniently synthesized products showed unusual regioselectivity during the reaction. S-Michael adducts via reaction between 1-phenyl tetrazole-5-thione and acrylic esters as well as acrylonitrile were afforded at room temperature and N-Michael adducts obtained at 70°C. Both reactions occurred within 24 h. Surprisingly, using fumarate esters as Michael acceptor proceeded a S_N2 reaction at 100°C due to steric effects. The structures of products all were confirmed by ¹H and ¹³C NMR spectra and target compound yields were good to excellent.

The solvent-free condensation reaction of various aliphatic aldehydes, cycloalkanones, and benzaldehydes with rhodanines catalyzed by Amberlyst 26 has been reported. The catalyst's efficiency, simple work-up, simple recycling procedure, and high catalyst recyclability without any considerable change of yields several times were found to be interesting. Furthermore, the drastic acceleration of ultrasound irradiation was realized to be efficient for the formation of alkylidenerhodanine, cycloalkylidene-rhodanine, and arylidenerhodanine in moderate to good yields within a short time.