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  2. Energy profile (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Energy_profile_(chemistry)

    Figure 6:Reaction Coordinate Diagrams showing reactions with 0, 1 and 2 intermediates: The double-headed arrow shows the first, second and third step in each reaction coordinate diagram. In all three of these reactions the first step is the slow step because the activation energy from the reactants to the transition state is the highest.

  3. Elimination reaction - Wikipedia

    en.wikipedia.org/wiki/Elimination_reaction

    The C-H bond is weakened in the rate determining step and therefore a primary deuterium isotope effect much larger than 1 (commonly 2-6) is observed. E2 competes with the S N 2 reaction mechanism if the base can also act as a nucleophile (true for many common bases). Scheme 1: E2 reaction mechanism. An example of this type of reaction in scheme ...

  4. Reaction coordinate - Wikipedia

    en.wikipedia.org/wiki/Reaction_coordinate

    Reaction coordinates are special order parameters that describe the entire pathway from reactants through transition states and on to products. Depending on the application, reaction coordinates may be defined by using chemically intuitive variables like bond lengths, or splitting probabilities (also called committors), or using the ...

  5. Hammond's postulate - Wikipedia

    en.wikipedia.org/wiki/Hammond's_postulate

    Energy diagrams of S N 1 reactions The relationship between Hammond's postulate and the BEP principle can be understood by considering a S N 1 reaction . Although two transition states occur during a S N 1 reaction (dissociation of the leaving group and then attack by the nucleophile), the dissociation of the leaving group is almost always the ...

  6. Reaction mechanism - Wikipedia

    en.wikipedia.org/wiki/Reaction_mechanism

    An example of a simple chain reaction is the thermal decomposition of acetaldehyde (CH 3 CHO) to methane (CH 4) and carbon monoxide (CO). The experimental reaction order is 3/2, [4] which can be explained by a Rice-Herzfeld mechanism. [5] This reaction mechanism for acetaldehyde has 4 steps with rate equations for each step :

  7. Rotamer - Wikipedia

    en.wikipedia.org/wiki/Rotamer

    One example where the rotamers become significant is elimination reactions, which involve the simultaneous removal of a proton and a leaving group from vicinal or antiperiplanar positions under the influence of a base. Base-induced bimolecular dehydrohalogenation (an E2 type reaction mechanism).

  8. More O'Ferrall–Jencks plot - Wikipedia

    en.wikipedia.org/wiki/More_O'Ferrall–Jencks_plot

    In this type of plot (Figure 1), each axis represents a unique reaction coordinate, the corners represent local minima along the potential surface such as reactants, products or intermediates and the energy axis projects vertically out of the page. Changing a single reaction parameter can change the height of one or more of the corners of the plot.

  9. Binding energy - Wikipedia

    en.wikipedia.org/wiki/Binding_energy

    Bond energy and bond-dissociation energy are measures of the binding energy between the atoms in a chemical bond. It is the energy required to disassemble a molecule into its constituent atoms. This energy appears as chemical energy, such as that released in chemical explosions, the burning of chemical fuel and biological processes. Bond ...