scholarly journals Analysis of Reaction Mechanisms based on Direct Observation of the Molecular Structual Changes during both Poto- and Thermal Reactions including the Transition States

2016 ◽  
Vol 16 (1) ◽  
pp. 15-22
Author(s):  
Izumi Iwakura
Keyword(s):  
Direct Observation ◽  
Reaction Mechanisms ◽  
Transition States ◽  
Thermal Reactions

Enzyme action: The delineation of novel strategies based on reaction mechanisms and transition states

1992 ◽  
Vol 64 (8) ◽  
pp. 1147-1151 ◽  
Author(s):  
D. Ranganathan ◽  
F. Farooqui ◽  
R. Rathi ◽  
S. Saini ◽  
N. Vaish ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Transition States ◽  
Enzyme Action

ChemInform Abstract: Enzyme Action: The Delineation of Novel Strategies Based on Reaction Mechanisms and Transition States

ChemInform ◽  
2010 ◽  
Vol 24 (13) ◽  
pp. no-no
Author(s):  
D. RANGANATHAN ◽  
F. FAROOQUI ◽  
R. RATHI ◽  
S. SAINI ◽  
N. VAISH ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Transition States ◽  
Enzyme Action

Surface Reaction Mechanisms in the Metallisation and Etching of Semiconductor Materials.

1988 ◽  
Vol 131 ◽  
Author(s):  
A Wee ◽  
A J Murrell ◽  
C L French ◽  
R J Price ◽  
R B Jackman ◽  
...  
Keyword(s):  
Reaction Mechanisms ◽  
Surface Reaction ◽  
Ion Beams ◽  
Semiconductor Materials ◽  
Spectroscopic Techniques ◽  
Thermal Reactions ◽  
Chemical States ◽  
Uv Lamps

ABSTRACTSurface spectroscopic techniques have been used to investigate aluminium deposition form tri-methyl aluminium (TMA) on Si(100), and the etching of InP by chlorine. Thermal reactions and processes stimulated by UV lamps and ion beams are examined. The results are interpreted in the light of the adsorption states which are formed and the surface transformations of chemical states which are observed to occur.

The thermal decompositions of 2-methyl-2-phenoxypropane

1981 ◽  
Vol 34 (2) ◽  
pp. 343 ◽  
Author(s):  
NJ Daly ◽  
SA Robertson ◽  
LP Steele
Keyword(s):  
Gas Phase ◽  
Reaction Mechanisms ◽  
Arrhenius Equation ◽  
Chain Process ◽  
Quadrupole Mass ◽  
Radical Chain ◽  
Thermal Reactions ◽  
First Order ◽  
Radical Chain Process ◽  
Good Agreement

The thermal reactions of 2-methyl-2-phenoxypropane have been studied in gas phase over the range 600-670 K by quadrupole mass spectrometry and pressure studies. The reaction is shown to be a homogeneous first-order elimination of phenol and 2-methylpropene which is described by the Arrhenius equation k = 1014.10�0.12exp[(-210.46�1.36)/RT] s-1 Possible reaction mechanisms are considered and the reaction is found to be a unimolecular elimination rather than a radical chain process initiated by homolysis to phenoxy and 1,1-dimethylethyl radicals. Evidence for the rearrangement to 4-t-butylphenol previously proposed has been carefully sought and it is concluded that the process does not occur in the gas phase. The A-factor observed for the reaction is in good agreement with that calculated for the four-centred transition state proposed for elimination of 2-methylpropene from alkoxypropanes.

Theoretical Study of the Mechanism of the 1CBr2 + 3O2 Reaction

2011 ◽  
Vol 356-360 ◽  
pp. 31-34
Author(s):  
Cong Yun Shi ◽  
Jiao Zhang ◽  
Xing Zhong Liu
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Reaction Mechanisms ◽  
Energy Surface ◽  
Theoretical Study ◽  
Transition States ◽  
Reaction Coordinate ◽  
Intrinsic Reaction Coordinate ◽  
Singlet Potential Energy Surface

A detailed theoretical study was done in order to clarify the reaction mechanisms of the singlet dibromocarbene (1CBr2) with3O2on the singlet potential energy surface (PES). All the geometries of reactants, intermediates, transition states and products were obtained at the B3LYP/6-311++G(d,p) level. Intrinsic reaction coordinate (IRC) calculations at the same level were carried out to confirm the connections between transition states and intermediates. It is found that the initial adduct Br2COO (Cs) is formed via a barrierless association in the1CBr2+3O2reaction, and then some isomerizations and breakages of bonds take place, generating P1(BrCO + BrO), P2(CO + Br2O), P3(CO2+ Br2) and P4(CO2+ 2Br). P3(CO2+ Br2) is the most competitive channel kinetically and thermodynamically. P4(CO2+ 2Br) is the least favorable one kinetically.

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