Accurate vibrational spectra and reaction mechanism of the reaction of atomic hydrogen with acetonitrile

2006 ◽  
Vol 763 (1-3) ◽  
pp. 123-132 ◽  
Author(s):  
Xingming Zhou ◽  
Xueli Cheng ◽  
Yanyun Zhao ◽  
Xiujun Tao
Keyword(s):  
Reaction Mechanism ◽  
Vibrational Spectra ◽  
Atomic Hydrogen ◽  
Mechanism Of The Reaction

Mechanism of the reaction of oxygen atoms, O(3P) with dimethyl disulfide

1983 ◽  
Vol 61 (5) ◽  
pp. 968-974 ◽  
Author(s):  
D. L. Singleton ◽  
R. S. Irwin ◽  
R. J. Cvetanović
Keyword(s):  
Reaction Mechanism ◽  
Ground State ◽  
Dimethyl Disulfide ◽  
Primary Reaction ◽  
Secondary Chemistry ◽  
Mechanism Of The Reaction ◽  
Oxygen Atoms

The mechanism of the reaction of ground state oxygen atoms, O(3P), with CH3SSCH3 was studied by analysis of the final products. Oxygen atoms were generated by mercury photosensitized decomposition of N2O such that [Formula: see text]. The only detected product was CH3S(O)2SCH3, which accounted for close to 70% of the oxygen atoms reacted. Isomerization of small amounts of cis- or trans-2-butene added to the reaction mixture indicated the presence of CH3S radicals. The results are consistent with the primary reaction O + CH3SSCH3 → CH3SO + CH3S. The effect of small amounts of CH3SH and H2S on the yields of CH3S(O)2SCH3 and the products formed provide further information on the nature of the secondary chemistry. A comprehensive reaction mechanism has been proposed.

scholarly journals Investigation of the structure and mechanism of the reaction of synthesis of monoalkyl(C8-C12) phenolformaldehyde oligomers modified by imidazolines based on natural petroleum acids and polyamines using method of IR-spectroscopy

2019 ◽  
pp. 16-19
Author(s):  
M. N. Amiraslanova ◽  
N. R. Abdullayeva ◽  
L. I. Aliyeva ◽  
R. A. Rustamov ◽  
S. F. Akhmedbekova ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Ir Spectroscopy ◽  
Ir Spectra ◽  
Phenol Formaldehyde ◽  
Mechanism Of The Reaction

The structures of novolac monoalkyl(C8-C12)phenol-formaldehyde oligomers, modified with imidazolines based on natural petroleum acids and polyamines-diethylenetriamine, triethylenetetraamine, polyethylenepolyamines were investigated by IR-spectroscopy. As a result of the analysis of the IR-spectra of the initial and final products, the reaction mechanism is proposed.

THEORETICAL STUDY ON THE MECHANISM OF THE REACTION OF Ni(d10 1S) + H2 + CO2 → NiCO + H2O

2005 ◽  
Vol 04 (02) ◽  
pp. 449-459 ◽  
Author(s):  
SONG QIN ◽  
CHANGWEI HU ◽  
HUAQING YANG
Keyword(s):  
Reaction Mechanism ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Barrier ◽  
Energy Surface ◽  
Theoretical Study ◽  
Bond Cleavage ◽  
Rate Determining Step ◽  
Singlet Potential Energy Surface ◽  
Mechanism Of The Reaction

The detailed singlet potential energy surface (PES) of the reaction of Ni ( d 10 1 S ) + H 2 + CO 2→ NiCO + H2O is investigated at the CCSD(T) /6-311+ G(2d,2p) // B3LYP /6-311+ G(2d,2p) levels in order to explore possible reaction mechanism of CO 2 hydrogenation on Ni center. The calculation predicts that the co-interacted H 2 involved C–O bond cleavage of CO 2 molecule is prior to the dissociation of adsorbed H 2 molecule, and the entire reaction is exothermic by 297.3 kJ/mol with an energy barrier of 137.7 kJ/mol. The rate-determining step (RDS) for the overall reaction is predicted to be the insertion of Ni into the C–O bond of the CO 2 moiety.

scholarly journals Theoretical study on the reaction mechanism of the reaction of FC(O)O with NO

2008 ◽  
Vol 57 (11) ◽  
pp. 7349
Author(s):  
Zhao Jiang ◽  
Cui Lei ◽  
Zeng Xiang-Hua ◽  
Xu Xiu-Lian
Keyword(s):  
Reaction Mechanism ◽  
Theoretical Study ◽  
Mechanism Of The Reaction

scholarly journals Mechanism of the reaction catalysed by cytosolic 5′-nucleotidase/phosphotransferase: formation of a phosphorylated intermediate

1996 ◽  
Vol 317 (3) ◽  
pp. 797-801 ◽  
Author(s):  
Cristina BAIOCCHI ◽  
Rossana PESI ◽  
Marcella CAMICI ◽  
Roichi ITOH ◽  
Maria GRAZIA TOZZI
Keyword(s):  
Reaction Mechanism ◽  
Kinetic Parameters ◽  
Acid Treatment ◽  
Histidine Residue ◽  
Thiol Oxidation ◽  
Photo Oxidation ◽  
Calf Thymus ◽  
Hydrolysis Of ◽  
Mechanism Of The Reaction

Cytosolic 5´-nucleotidase preferentially catalysing the hydrolysis of IMP, GMP and their deoxy derivatives, and endowed with phosphotransferase activity, was purified from calf thymus and its reaction mechanism was studied. In the presence of [32P]IMP, ATP and MgCl2, a covalent enzyme–phosphate intermediate was trapped by mixing with an SDS solution. Heat or acid treatment of the enzyme before incubation with radiolabelled substrate prevented formation of the intermediate. Furthermore, on the basis of studies on the kinetic parameters of the enzyme as function of pH, and of experiments on thiol oxidation and photo-oxidation, we suggest the involvement of cysteine and histidine residue(s) in the reaction mechanism.

REACTION MECHANISM STUDIES: 3. SOLVENT EFFECTS AND THE NATURE OF THE TRANSITION STATE IN THE DIAXIAL → DIEQUATORIAL REARRANGEMENT

1965 ◽  
Vol 43 (4) ◽  
pp. 847-861 ◽  
Author(s):  
J. F. King ◽  
R. G. Pews
Keyword(s):  
Reaction Mechanism ◽  
Transition State ◽  
Solvent Effects ◽  
Ion Pair ◽  
Polar Solvents ◽  
Concerted Mechanism ◽  
Opening Ratio ◽  
Mechanism Of The Reaction

The rates of the diaxial → diequatorial rearrangement of 2β,3α-dibromocholestane (Ia), and the analogous bromohydrin p-toluenesulfonates (Id and Ie) and anisates (If and Ig) have been measured in various solvents. The change in rate with variation in solvent was found to correlate with the change in the ionizing power of the solvents. The sensitivity of the rate of rearrangement to changes in solvent ionizing power, as measured by the ratio of the rate of rearrangement in nitromethane to that in decalin, was found to be smaller for the dibromide (Ia) than for the esters (Id to Ig). A detailed discussion of the mechanism of the reaction is presented. It is proposed that the following factors (either singly or simultaneously) could lead to the smaller sensitivity to solvent change shown by the dibromide (Ia) as compared with the esters (Id to Ig): (1) a difference in a postulated change of the axial: equatorial opening ratio with change in solvent, and (2) the development of a smaller charge in the transition state for the rearrangement of the dibromide (Ia) as compared with that in the rearrangement of the esters, when the reactions are carried out in the less polar solvents. It is argued that the operation of the latter factor would be most simply interpreted in terms of a merged ion-pair, cyclic-concerted mechanism, as initially suggested by Grob and Winstein.

Reaction Mechanism of Dye with Atomic Hydrogen on Au Cathode Plated Nanostructured Pd Film

2011 ◽  
Vol 121-126 ◽  
pp. 320-324
Author(s):  
Li Hui Huang ◽  
Guo Peng Sun ◽  
Hou Yi Ma ◽  
Tao Yang
Keyword(s):  
Reaction Mechanism ◽  
Atomic Hydrogen ◽  
Polarization Potential ◽  
H2so4 Solution ◽  
Au Electrode ◽  
Reactive Blue 19 ◽  
Decolorization Efficiency ◽  
Potentiostatic Polarization ◽  
Tafel Curve ◽  
Dye Molecule

The Au electrode plated nanostructure Pd was used to study the reaction mechanism of C.I. reactive blue 19 and reactive brilliant blue K-GR with atomic hydrogen in 0.2M H2SO4 solution by the electrochemical method. The nanostructured Pd/Au electrode showed the various forms of hydrogen. Through the result of cyclic voltammetry, Tafel curve and EIS, the protonation of dye molecule could accelerate the production of atomic hydrogen and the adsorption of dye on Pd/Au electrode. The decolorization efficiency using potentiostatic polarization at -0.18V was highest than that at other polarization potential because the proportion between adsorbed dye and adsorbed atomic hydrogen on electode was optimum.

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