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In chemistry, a reaction coordinate [1] is an abstract one-dimensional coordinate chosen to represent progress along a reaction pathway. Where possible it is usually a geometric parameter that changes during the conversion of one or more molecular entities, such as bond length or bond angle. For example, in the homolytic dissociation of ...
The height of energy barrier is always measured relative to the energy of the reactant or starting material. Different possibilities have been shown in figure 6. 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 physics and engineering, a free body diagram (FBD; also called a force diagram) [1] is a graphical illustration used to visualize the applied forces, moments, and resulting reactions on a free body in a given condition. It depicts a body or connected bodies with all the applied forces and moments, and reactions, which act on the body(ies).
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.
The difference between states A and B may be in the atom types involved, in which case the ΔF obtained is for "mutating" one molecule onto another, or it may be a difference of geometry, in which case one obtains a free-energy map along one or more reaction coordinates. This free-energy map is also known as a potential of mean force (PMF).
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In a multistep reaction, the rate-determining step does not necessarily correspond to the highest Gibbs energy on the reaction coordinate diagram. [8] [6] If there is a reaction intermediate whose energy is lower than the initial reactants, then the activation energy needed to pass through any subsequent transition state depends on the Gibbs ...
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