The reaction of CH₃NH₂ with O₂ on the singlet potential energy surfaces (PES) was carried out using the B3LYP, CCSD(T) and G3B3 theoretical approaches along with 6-311++G(3df,3pd) basis set. The suggested mechanism for the title reaction consists of one pre-reactive complex. From the pre-reactive complex, nine types of products, CH2NH+H2O2, CH3NH+OOH,...

The present paper deals with the kinetics and mechanism of homogeneously Ir(III) chloride catalyzed oxidation of D-mannitol by chloramine-T [CAT] in perchloric acid medium in the temperature range of 30 to 45 0C. The reaction is carried out in the presence of mercuric acetate as a scavenger for chloride ion. The experimental results show first order kinetics with respect to the oxidant [CAT] an...

The effects of solution pH and anion adsorption for the formic acid oxidation reaction on the Pt(111) electrode have been examined using electrochemical techniques. Regarding the pH effects, it has been found that oxidation currents for this reaction increases as the pH increases, which indicates that solution formate is involved in the reaction mechanism. Unexpectedly, the adsorption of sulfat...

Palladium/neocuproine catalyzed oxidation of glucosides shows an excellent selectivity for the C3-OH, but in mannosides and galactosides, unselective oxidation was initially observed. For further application in more-complex (oligo)saccharides, a better understanding of the reaction, in terms of selectivity and reactivity, is required. Therefore, a panel of different glycosides was synthesized, ...

Ethanol oxidation rate in high pressure steam at the pressure of 10 MPa in the temperature ranging from 430 to 490 °C was studied with the fuel equivalence ratio of 0.4. On the assumption that the reaction order is first order, the reaction rate parameters obtained in the experiments are 10 ± 0.4 s for the pre-exponential factor and 166.5 ± 6.1 kJ·mol for the activation energy. This ethanol oxi...

Singlet Oxygen, Radicals, Fluorescein, Diphenylisobenzofuran, Reversed Micelles The 1,3-diphenylisobenzofuran oxidation was investigated in methanolic and dodecylammonium propionate reversed micellar solutions using fluorescein sodium as photosensitizer. The furan oxidation was caused by the singlet oxygen mechanism (Type II). Aniline enhanced remarkably the furan oxidation in methanolic soluti...

effects of water on the catalytic performances of movtenbo catalyst in the oxidation of propane to acrylic acid have been investigated at different reaction temperatures and different steam contents. obtained results show that both catalytic performances and catalyst structure are very sensitive to the presence of water vapor in the reaction feed. presence of water induces some structural modif...

Hematin catalysis of unsaturated lipide oxidation is probably a primary reaction in many types of pathological unsaturated fat oxidation in viva (l-3) and in the spoilage of frozen meat products by oxidative fat rancidity (4). Some of the properties of hematin catalysis have been described (4-8), but knowledge of the reaction mechanism and the reaction products is relatively meager. The catalyt...

reaction of compound 1 with thiobenzarnide or substituted selenobenzamides afforded substituted pyrrolobenzothiazole or selenazoles (2) respectively. selenium dioxide oxidation of the semicarbazone 4 with selenium dioxide gave 6- benzenesulfonyl- 4,5-dihydro-pynolo [3,2-el benzoselenadiazole (5).

Canards are periodic orbits for which the trajectory follows both the attracting and repelling parts of a slow manifold. They are associated with a dramatic change in the amplitude and period of a periodic orbit within a very narrow interval of a control parameter. It is shown numerically that canards occur in an appropriate parameter range in twoand three-dimensional models of the platinum-cat...