Density functional theory has been used to investigate the mechanism and kinetics of the liquid-phase, oxidative carbonylation of toluene to p-toluic acid (C7H8 + CO + /2O2 f p-C7H6COOH + H2O) catalyzed by Rh(III) cations. In toluene solution containing trifluoroacetic acid and dissolved CO, Rh(III) is coordinated to three trifluoroacetate (TFA) anions and two CO molecules as Rh(CO)2(TFA)3. The...

O-Toluic acid (OTA) and m-toluic acid (MTA) are two isomers of toluic acid that act as an important organic intermediates, mostly used in medicines and pesticides. The aim of the study was to evaluate the impact of biofield energy treatment on isotopic abundance ratios of 2 H/ 1 H, 13 C/ 1 2C, (PM+1)/PM and 18 O/ 16 O, (PM+2)/PM, in toluic acid isomers using gas chromatography-mass spectrometry...

Nocardia cultures, isolated from soil by use of n-paraffins as the sole carbon source, have been shown to bring about significant oxidation of several methyl-substituted mono- and dicyclic aromatic hydrocarbons. Oxygen uptake by washed cell suspensions was not a reliable indicator of oxidation. Under co-oxidation conditions in shaken flasks, o- and p-xylenes were oxidized to their respective mo...

The mechanism and kinetics of the liquid phase, oxidative carbonylation of toluene to toluic acid were investigated. The catalyst system consisted f Rh(acac)3, NH4VO3, trifluoroacetic acid (TFAH), and trifluoracetic anhydride (TFAA). Liquid toluene together with gaseous CO and O2 was sed as the reactant. The effects of temperature, the partial pressures of O2 and CO, the concentrations of TFAH ...

a mixture of manganese, cobalt and lead para-amino benzoates supported on silica gel is used to catalyze oxidation of xylenes to toluic acids in presence of oxygen or air. reactions are clean and catalysts can be recovered easily and reused.

Experimental and theoretical studies were conducted to investigate the influence of anionic ligands (e.g., CF(3)COO(-), CH(3)SO(3)(-)) on the catalytic activity and selectivity of Rh(III) in the oxidative carbonylation of toluene to toluic acid. The catalyst activity was found to pass through a maximum as the pK(a) of the conjugate Brønsted acid decreases from 4.63 to -2.00, with the maximum ac...