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Reactions transition states

Eyring s transition-state reaction rate expression is... [Pg.3]

Figure 7, Schematic representation of the 1-TS (solid) and 2-TS (dashed) (where TS = transition state) reaction paths in the reaction Ha + HbHc Ha He + Hb- The H3 potential energy surface is represented using the hyperspherical coordinate system of Kuppermann [54], in which the equilateral-triangle geometry of the Cl is in the center (x), and the linear transition states ( ) are on the perimeter of the circle the hyperradius p = 3.9 a.u. The angle is the internal angular coordinate that describes motion around the CL... Figure 7, Schematic representation of the 1-TS (solid) and 2-TS (dashed) (where TS = transition state) reaction paths in the reaction Ha + HbHc Ha He + Hb- The H3 potential energy surface is represented using the hyperspherical coordinate system of Kuppermann [54], in which the equilateral-triangle geometry of the Cl is in the center (x), and the linear transition states ( ) are on the perimeter of the circle the hyperradius p = 3.9 a.u. The angle is the internal angular coordinate that describes motion around the CL...
Recently, Zewail and co-workers have combined the approaches of photodetachment and ultrafast spectroscopy to investigate the reaction dynamics of planar COT.iii They used a femtosecond photon pulse to carry out ionization of the COT ring-inversion transition state, generated by photodetachment as shown in Figure 5.4. From the photoionization efficiency, they were able to investigate the time-resolved dynamics of the transition state reaction, and observe the ring-inversion reaction of the planar COT to the tub-like D2d geometry on the femtosecond time scale. Thus, with the advent of new mass spectrometric techniques, it is now possible to examine detailed reaction dynamics in addition to traditional state properties." ... [Pg.235]

T. Bartsch, T. Uzer, and R. Hernandez, Stochastic transition states reaction geometry amidst noise, J. Chem. Phys. 123, 204102 (2005). [Pg.235]

Dunitz (180) has collected X-ray crystallographic data for carbonyl compounds that possess nucleophilic atoms in proximity to C=0, and has postulated that such molecules can be used as models for the incipient transition state (reaction coordinate) for the nucleophilic addition to carbonyl compounds. Atrop-isomeric compounds have the potential, by providing a variety of such data, for understanding the incipient transition states. For example, the interaction found in the 1,4-dimethoxy-9-(2-acyloxyethyl)triptycenes (130) can be viewed as a model for SN2 type reactions where the acyloxy group is the leaving group and the methoxy is the nucleophile. In an extreme case of this sort, cyclization actually takes place. Such an example has been reported (181). [Pg.75]

The observation of exalted secondary isotope effects, i.e., those that are substantially beyond the semiclassical limits of unity and the equilibrium isotope effect. These observations require coupling between the motion at the primary center and motion at the secondary center in the transition-state reaction coordinate, and in addition that tunneling is occurring along the reaction coordinate. [Pg.73]

Cyclic Transition State Reactions with a Second Molecule... [Pg.267]

Cyclic transition state reactions with a second molecule... [Pg.453]

Reactions involving radicals, reducing agents and at surfaces Reactions with cyclic transition states Reactions of substituents Other reactions... [Pg.829]

Unimolecular thermal or photochemical reaction Reactivity tcward electrophiles Reactivity toward nucleophiles Reactivity toward radicals and carbenes Cyclic transition state reactions Miscellaneous reactions... [Pg.740]


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Acid-catalyzed reactions, transition states

Acid-catalyzed reactions, transition states carbenium ions

Addition reactions transition state calculations

Addition reactions transition state symmetry

Addition reactions transition-state structures

Alkenes, addition reactions transition states

Bimolecular reactions transition-state theory

Bimolecular reactions, collision model transition state theory

Boat-like transition states Diels-Alder reactions

Canonical variational transition-state surfaces . reaction path

Chemical reaction dynamics transition state theory

Chemical reaction dynamics unify” transition state theory

Chemical reactions transition state theory

Chemical reactions transition states

Complex reactions transition state switching

Complex reactions transition-state theory

Concerted reactions, transition states

Cyclic transition state, aldol reaction

Cyclic transition state, for aldol reaction

Cyclic transition states in reactions

Describing a Reaction Energy Diagrams and Transition States

Diazomethane reaction, transition states

Diels-Alder reaction endo transition state

Diels-Alder reaction transition state structure

Dipolar transition-state reactions

Electrochemical reaction, transition state

Electron transfer reactions quantum transition-state theory

Electrophilic addition reaction transition state

Electrophilic aromatic substitution reactions transition state modeling

Elementary surface reaction steps transition state

Elimination reactions variable transition state theory

Endothermic reaction transition state

Ene reaction transition state

Enolates reaction transition states

Enzyme-catalyzed reactions transition state structures

Equilibrium Theory of Reaction Rates The Transition-state Method

Exothermic reaction transition state

Free-radical transition state reactions

Glycosylation reactions transition states

Grignard reactions transition-state structures

Hydride transfer reaction, transition states

Intermolecular Cyclic Transition State Reactions

Intermolecular Reactions with Cyclic Transition States

Ionic Liquid Effects on Reactions Proceeding through Dipolar Transition States

Ionic reactions transition state

Isopolar transition-state reactions

Ivanov reaction Zimmerman-Traxler transition states

Loose transition state, nucleophilic reactions

Meerwein-Ponndorf-Verley reaction transition state

Menschutkin reactions, transition states

Mobius orbital array in transition states for concerted reactions

Molecular Reactions Cyclic Transition States

Multiple reaction paths transition-state pathways

Organic chemistry fundamental reactions single-transition-state model

Pericyclic reactions aromatic transition state theory

Pericyclic reactions involving ionic transition state

Pericyclic reactions transition state aromaticity

Phase-space transition states reaction paths

Photochemical reactions transition state theory

Potential Energy Surface Molecular Structure, Transition States, and Reaction Paths

Quantum transition-state theory reactions

Radical chain reactions addition transition state

Reaction Paths and Transition States

Reaction in Solution and the Transition-State Theory

Reaction mechanisms and transition-state shifts

Reaction mechanisms bifurcations, transition states

Reaction mechanisms transition state hypothesis

Reaction mechanisms variational transition state theory

Reaction pathways transition state theory

Reaction rate prediction transition state theory

Reaction rate prediction variational transition state theory

Reaction rates transition state

Reaction selectivity restricted transition state

Reaction selectivity, transition state

Reaction velocity transition state

Reactions and Transition State Theory

Reactions involving cyclic transition states

Reactions with Cyclic Transition States

Reactions with Mobius transition states

Selectivity, transition state geometry reaction

Single-step reactions, transition-state

Single-step reactions, transition-state theory

Solid-state reactions phase transitions

Solvent Effects on Dipolar Transition State Reactions

Solvent Effects on Free-Radical Transition State Reactions

Solvent Effects on Isopolar Transition State Reactions

Stabilization of enzyme reactions transition states

Substitution reactions solvent-assisted transition state

Surface reactions Transition-state theory

Target reaction transition state

The Reaction Path Hamiltonian and Variational Transition State Theory

Thermal reactions transition state theory

Tight transition state, nucleophilic reactions

Transition State Models for Proline-Catalyzed Reactions

Transition State Species and Chemical Reactions

Transition State Theory for Gas-Phase Reactions

Transition State Theory for Reactions in Solution

Transition State Theory in the Treatment of Hydrogen Transfer Reactions

Transition metal nitrides solid-state reactions

Transition state Diels Alder reaction

Transition state addition reactions

Transition state aromaticity in photochemical reactions

Transition state butadiene Diels-Alder reactions

Transition state elimination reactions

Transition state endergonic reaction

Transition state for the Diels-Alder reaction

Transition state in Diels-Alder reactions

Transition state of a reaction

Transition state organic chemical reaction frontier

Transition state reaction-rate expression

Transition state structures cyclic ether reactions

Transition state theory , development reaction coordinate

Transition state theory , development reaction pathways

Transition state theory absolute reaction rates

Transition state theory acetate reactions

Transition state theory condensed-phase reactions

Transition state theory for unimolecular reactions

Transition state theory intramolecular reactions

Transition state theory of chemical reactions

Transition state theory of elementary reaction

Transition state theory of gaseous reactions

Transition state theory of reaction rate

Transition state theory of surface reactions

Transition state theory reaction

Transition state theory reaction coordinate

Transition state theory reaction mechanism

Transition state theory reaction rate

Transition state theory variable reaction coordinate

Transition state tightness, nucleophilic reactions

Transition state, enzyme-catalyzed reactions

Transition states HERON reaction

Transition states allylic halide reactions

Transition states and reaction rates

Transition states aziridine reactions

Transition states bromide reaction

Transition states chloride reactions

Transition states diastereoselective reactions

Transition states ether reactions

Transition states ethylene oxide reactions

Transition states for E2 reactions

Transition states for Sn2 reactions

Transition states geometry, aldol reaction

Transition states in pericyclic reaction

Transition states in substitution reactions

Transition states of Sn2 reaction

Transition states of acid-catalyzed reactions

Transition states reaction rate constants

Transition states reactions. KIEs

Transition states substitution reactions

Transition states unimolecular reaction rates

Transition-State Theory for Reactions on Surfaces

Transition-state model, for solution reactions

Transition-state structure, degenerate reactions

Transition-state theory for reactions

Transition-state theory solution reactions

Trigonal bipyramidal transition state in octahedral substitution reactions

Trigonal bipyramidal transition state in square planar substitution reactions

Unimolecular reactions transition-state theory

Variational transition state theory (VTST reaction paths

Variational transition state theory reactions

Variational transition-state theory reaction path dynamics

Wittig reaction transition state

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