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Elementary reaction

About: Elementary reaction is a research topic. Over the lifetime, 2972 publications have been published within this topic receiving 76110 citations.


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TL;DR: Progress is examined in the use of time-resolved infra-red spectroscopy to study reaction dynamics in liquids, how existing theories can guide the interpretation of experimental data is discussed, and future challenges for this field of research are suggested.
Abstract: Bimolecular reactions in the gas phase exhibit rich and varied dynamical behaviour, but whether a profound knowledge of the mechanisms of isolated reactive collisions can usefully inform our understanding of reactions in liquid solutions remains an open question. The fluctuating environment in a liquid may significantly alter the motions of the reacting particles and the flow of energy into the reaction products after a transition state has been crossed. Recent experimental and computational studies of exothermic reactions of CN radicals with organic molecules indicate that many features of the gas-phase dynamics are retained in solution. However, observed differences may also provide information on the ways in which a solvent modifies fundamental chemical mechanisms. This perspective examines progress in the use of time-resolved infra-red spectroscopy to study reaction dynamics in liquids, discusses how existing theories can guide the interpretation of experimental data, and suggests future challenges for this field of research.

47 citations

Journal ArticleDOI
TL;DR: In this paper, the authors studied the kinetics of bimolecular, catalytically-activated reactions (CARs) in d-dimensions and developed a kinetic formalism, based on Collins-Kimball-type ideas.
Abstract: We study the kinetics of bimolecular, catalytically-activated reactions (CARs) in d-dimensions. The elementary reaction act between reactants takes place only when these meet in the vicinity of a catalytic site; such sites are assumed to be immobile and randomly distributed in space. For CARs we develop a kinetic formalism, based on Collins–Kimball-type ideas; within this formalism we obtain explicit expressions for the effective reaction rates and for the decay of the reactants’ concentrations.

47 citations

Journal ArticleDOI
TL;DR: In this article, the authors used the unified reaction valley approach (URVA) to investigate the mechanism of the reaction between ethene and 1,3-butadiene.
Abstract: The unified reaction valley approach (URVA) was used to investigate the mechanism of the reaction between ethene and 1,3-butadiene. The reaction valley was explored using different methods (Hartree...

47 citations

Journal ArticleDOI
01 Jan 1996
TL;DR: In this article, the structure and burning velocities of premixed iso-octane flames were derived using numerical calculations and rate-ratio asymptotic analysis using a reduced chemical-kinetic mechanism.
Abstract: Numerical calculations and rate-ratio asymptotic analysis are performed to obtain the structure and burning velocities of premixed iso-octane flames. The numerical calculations employ a detailed chemicalkinetic mechanism comprising 967 elementary reactions, a skeletal chemical-kinetic mechanism comprising 47 elementary reactions, and a reduced chemical-kinetic mechanism for lean to stoichiometric conditions made up of six overall reactions among nine species including the hydrogen radical. The values of burning velocities calculated numerically using the detailed, skeletal, and reduced chemical-kinetic mechanisms are found to agree well with each other as well as with previous measurements. The asymptotic structure of stoichiometric and lean flames is analyzed using a reduced chemical-kinetic mechanism comprising five overall reactions. This mechanism is deduced from the reduced chemical kinetic mechanism employed in the numerical calculations after introducing steady-state approximation for the hydrogen radical. In the analysis, the flame structure is presumed to consist of three zones—a preheat zone of thickness of order unity, a thin reaction zone, and a postflame zone. In the reaction zone, the chemical reactions are presumed to take place in three layers—an inner layer, a C3H4-consumption layer, and a H2-CO oxidation layer. Within the inner layer, the fuel iso-octane is consumed in a thin sublayer and i-C4H8 is formed, which subsequently reacts with radicals to form the intermediate hydrocarbon compound C3H4. This intermediate hydrocarbon is consumed in the C3H4-consumption layer. In the inner layer and the C3H4-consumption layer, H2 and CO are formed. Most of the final products CO2 and H2O are formed in the H2-CO oxidation layer. In this layer, H2 is presumed to be in steady state everywhere except in a thin sublayer called the H2-consumption layer. The burning velocities calculated using the results of the asymptotic analysis are found to agree reasonably well with those calculated numerically using the detailed, skeletal, and reduced chemical-kinetic mechanisms and with previous measurements.

47 citations

Journal ArticleDOI
TL;DR: This study intentionally changes the reaction scheme by using single-molecule manipulation, and the resulting effect on the rotary motion of F1-ATPase is examined, finding that an improper reaction sequence of F 1-ATpase catalysis induces MgADP inhibition.
Abstract: F1-ATPase is a rotary motor protein driven by ATP hydrolysis. The rotary motion of F1-ATPase is tightly coupled to catalysis, in which the catalytic sites strictly obey the reaction sequences at the resolution of elementary reaction steps. This fine coordination of the reaction scheme is thought to be important to achieve extremely high chemomechanical coupling efficiency and reversibility, which is the prominent feature of F1-ATPase among molecular motor proteins. In this study, we intentionally change the reaction scheme by using single-molecule manipulation, and we examine the resulting effect on the rotary motion of F1-ATPase. When the sequence of the products released, that is, ADP and inorganic phosphate, is switched, we find that F1 frequently stops rotating for a long time, which corresponds to inactivation of catalysis. This inactive state presents MgADP inhibition, and thus, we find that an improper reaction sequence of F1-ATPase catalysis induces MgADP inhibition.

47 citations


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Performance
Metrics
No. of papers in the topic in previous years
YearPapers
202321
202229
202185
202088
201971
201871