Density functional theory calculations were used to systematically explore the effects of axial ligation by solvent molecules on reactivity and selectivity dirhodium tetracarboxylates with diazo compounds in context C–H insertion into propane. Insertions three types compounds?acceptor/acceptor, donor/acceptor, donor/donor?promoted tetraformate tested without for no surrounding solvent, dichloro...

[reaction: see text] Polyfluorinated quaternary ammonium cations, [CF(3)(CF(2))(7)(CH(2))(3)](3)CH(3)N(+) (R(F)N(+)), were synthesized and used as countercations for the [WZnM(2)(H(2)O)(2)(ZnW(9)O(34))(2)](12)(-) (M = Mn(II), Zn(II)) polyoxometalate. The (R(F)N(+))(12)[WZnM(2)(H(2)O)(2)(ZnW(9)O(34))(2)] compounds were fluorous biphasic catalysts for alcohol and alkenol oxidation, and alkene epo...

The efficacy of [bmim][X] ionic liquids (ILs) (X = PF(6) (-), BF(4) (-) and NTf(2) (-)) as reaction media for methyl oleate metathesis was compared with that of conventional organic solvents (PhCl, PhMe, DCM and DCE) using the well-defined first and second generation Grubbs precatalysts, RuCl(2)(PCy(3))(L)(=CHPh) (L = PCy(3) or H(2)IMes). Best catalytic performance, with excellent selectivity (...

The adsorption of mixtures of alkyl thiol surfactants on the Au(111) surface as well as on icosahedral gold nanocrystals (NCs) was investigated by molecular simulation. We compared the molfraction of each surfactant type on the gold structure with the molfraction of each surfactant type in the surrounding bulk solvent. For alkyl thiol surfactants with 1 to 4 carbon atoms difference, we found th...

first row transition metal complexes of phthalocyanine are employed as catalysts for the oxidation of cyclohexene and cyclooctene using iodosylbenzene and pentafluoroiodosyl benzene. the catalysis was performed in dichloromethane: methanol:water (80:18:2) solvent mixture.  the products of the catalysis for cyclohexene are epoxycyclohexane, 2-cyclohexene-1-ol and 2-cyclohexene-1-one whereas for ...

Mechanochemistry is becoming more widespread as a technique for molecular synthesis with new mechanochemical reactions being discovered at increasing frequency. Whilst mechanochemical methods are solvent free and can therefore lead to improved sustainability metrics, it is more likely that the significant differences between reaction outcomes, reaction selectivities and reduced reaction times w...

Carbon nanotubes (CNTs)-supported Pt nanoparticles were prepared with selective deposition of Pt nanoparticles inside and outside CNTs (Pt–in/CNTs and Pt–out/CNTs). The effects of Pt loading and reaction solvents on phenol hydrogenation were investigated. The Pt nanoparticles in Pt–in/CNTs versus Pt–out/CNTs are smaller and better dispersed. The catalytic activity and reuse stability toward phe...

Solvent annealing [1-3] has recently emerged as a powerful alternative to thermal annealing of block copolymer (BCP) thin films and nanocomposites. Taking a more general point of view, solvent treatment procedures, employing the selectivity of the solvents towards the different blocks, can produce new structures [4], and provide fascinating insights into the swelling kinetics and instabilities ...

A sustainable V(V) and Mo(VI) catalysed two-phase procedure for bromination of toluene under quite mild conditions is proposed; H2O2 is the primary oxidant and KBr is the bromine source; metal precursors are commercially available salts. The reaction is efficient without any additional solvent. By using PhCH3 as a solvent/substrate good yields, together with interesting selectivity toward the f...