A palladium catalyzed cross-coupling of fluorinated benzothiadiazoles (FBTs) with allyl chlorides is reported. The significant feature of this method is synthetic simplicity, providing a straightforward access to unsymmetrical and symmetrical alkylated FBT derivatives that are of interest in org...

ω-Bromo-3-ketosulfones, ω-bromo-3-ketonitriles and various functionalized 2-(ω-bromoalkyl)benzofurans were chemo- and regioselectively prepared by application of a ‘ring-closing/ring-opening’ strategy. The cyclization of 3-ketosulfone and 3-ketonitrile dianions with 1-bromo-2-chloroethane o...

Excess molar volumesVEmof [x(BrCH2ClorBrCH2CH2Cl) + (1 -x){CH3(CH2)5CH3orc-(CH2)6or C6H6or CCl4}] have been determined from density measurements at the temperature 298.15 K, using a vibrating-tube densimeter. Excess molar volumesVEmfor these mixtures are positive, but noticeably less positive wh...

The average vicinal coupling constants of 1-bromo-2-chloroethane at different temperatures have been obtained in a gas-phase 1H NMR study of 1,2-disubstituted ethanes. Analysis of the experimental data, assuming a ”static” model with constant values for the vicinal coupling constants of the in...

Isothermal vapor–liquid equilibria (VLE) have been measured for bromochloromethane+tetrachloromethane or benzene at 298.15 K and 313.15 K, and for 1-bromo-2-chloroethane+tetrachloromethane or benzene at 313.15 K. Bromochloromethane+tetrachloromethane shows azeotropic behaviour in the temperatur...

The adsorption/co-adsorption of 1,2-dichloroethane (DCA) and 1-bromo,2-chloroethane (BCA) from the vapour and the liquid phases by zeolite ZSM-5 at ambient temperature is reported, using Dubinin's theory and the recent Myers-Prausnitz-Dubinin (MPD) theory. For adsorption from the liquid pha...

The adsorption of 1-bromo-2-chloroethane (BCE) on Cu(111) in the temperature range 100–300 K has been studied using ultraviolet photoelectron spectroscopy (UPS), work function measurements, low energy electron diffraction, and line of sight temperature programmed desorption (LOSTPD). At 300 K a...

The photodissociation of CH2BrCH2Cl at 266 nm has been investigated on the universal crossed molecular beam machine. The primary dissociation step leads exclusively to the formation of CH2CH2Cl radicals and Br atoms in the electronic ground state as well as in the spin–orbit excited state, with...

The structure of 1-bromo-2-chloroethane (BCE) molecularly adsorbed on Cu(111) and the adsorption sites of chemisorbed chlorine and bromine coadsorbed with the BCE have been determined using the normal incidence X-ray standing wave (NIXSW) method. Two Bragg reflections, the (111) and (1¯11), wer...

The internal energy excitation and relaxation of oriented G, G′, and T rotamers of 1-bromo-2-chloroethane colliding with a model surface were studied by classical molecular dynamics. For a given oriented molecule colliding with a surface at an incident angle, the distributions of the final rota...

Isothermal (vapour + liquid) equilibria (VLE) at 313.15 K have been measured for liquid 1-propanol + dibromomethane, or + bromochloromethane or + 1,2-dichloroethane or + 1-bromo-2-chloroethane mixtures.The VLE data were reduced using the Redlich–Kister equation taking into consideration the vap...

The rate coefficient for the reaction of Cl radicals with n-propanethiol has been determined at 298 K and atmospheric pressure to be: (2.37 ± 0.66) × 10−10 cm3 molecule−1 s−1. Dipropyl disulfide, sulfur dioxide, and propionaldehyde, were observed as main reaction products. The yield of formati...

The surface-enhanced Raman scattering (SERS) of 2-methyl-1-propanethiol is investigated in a silver sol. As for other thiols, the molecule appears to be chemisorbed dissociatively on the silver surface by rupture of its SH bond. At the bulk concentration sufficient for full monolayer coverage,...

Platinum nanoparticle growth by electrochemical deposition on a copper surface modified with mercaptopropyltrimethoxysilane (MPS) and 1-propanethiol (1-PT) was studied by cyclic voltammetry, electrochemical impedance spectroscopy (EIS), X-ray photoelectron spectroscopy (XPS), and scanning electr...

Extraction, pre-concentration, and determination of trace amounts of silver, cadmium, copper, mercury, and lead from some food samples were investigated by magnetic solid phase extraction using Fe3O4 nanoparticles coated with 3-(trimethoxysilyl)-1-propanethiol and modified with ethylene glycol b...

Pseudomonas putida S-1 was isolated from activated sludge. This novel strain was capable of degrading malodorous 1-propanethiol (PT). PT degradation commenced with no lag phase by cells pre-grown in nutrition-rich media, such as Luria–Bertani (LB), and PT-contained mineral medium at specific gr...

Benchmarking study on eighteen methods, including MP2, B2PLYP-D3, B2PLYP-D3BJ, ωB97xD, M05-D3, M06-D3, M052X-D3, M06HF-D3, PBE0-D3, PBE0-D3BJ, B3LYP-D3, B3LYP-D3DJ, TPSS-D3, TPSS-D3BJ, BP86-D3, BP86-D3BJ, BLYP-D3, BLYP-D3BJ and ten basis sets: cc-pVDZ, cc-pVTZ, aug-cc-pVDZ, cc-pVQZ, def2-SVP, d...

Tungsten-incorporated 3D mesoporous silicates, W-KIT-6, W-KIT-5, and W-SBA-16 catalysts, outperform supported tungsten oxide catalysts (WO3/SiO2 and WO3/KIT-6) for the metathesis of ethylene and 2-butene to propene at 450 °C. All catalysts exhibit steady activity and stability during 7 h runs i...

Cavity ring-down spectroscopy (CRDS) and chemical titration with sulfur dioxide (SO2) were used to indirectly measure the yields of stabilized Criegee intermediates (sCIs) produced from ozonolysis of trans-2-butene and 2,3-dimethyl-2-butene at low pressures in the range of 2–60 Torr. In the cas...

For upgrading of petroleum, the alkylation reaction between isobutane and 2-butene can produce a premium blending stock for gasoline. The novel ionic liquid/solid acid catalysts that combined the advantages of ionic liquids (IL) and solid acids (SA) were used to catalyze the C4 alkylation. These...