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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 ...
A catalytic triad is a set of three coordinated amino acid residues that can be found in the active site of some enzymes. [1] [2] Catalytic triads are most commonly found in hydrolase and transferase enzymes (e.g. proteases, amidases, esterases, acylases, lipases and β-lactamases).
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.
Often, substances are intentionally added to the reaction feed or on the catalyst to influence catalytic activity, selectivity, and/or stability. These compounds are called promoters. For example, alumina (Al 2 O 3) is added during ammonia synthesis to providing greater stability by slowing sintering processes on the Fe-catalyst. [2]
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.
To address such a paradox, Kuo-Chen Chou and his co-workers proposed a model by taking into account the spatial factor and force field factor between the enzyme and its substrate and found that the upper limit could reach 10 10 M −1 s −1, [6] [7] [8] and can be used to explain some surprisingly high reaction rates in molecular biology.
Chiral ligands work by asymmetric induction somewhere along the reaction coordinate. The image to the right illustrates how a chiral ligand may induce an enantioselective reaction. The ligand (in green) has C 2 symmetry with its nitrogen, oxygen or phosphorus atoms hugging a central metal atom (in red). In this particular ligand the right side ...
Some multistep reactions can also have apparent negative activation energies. For example, the overall rate constant k for a two-step reaction A ⇌ B, B → C is given by k = k 2 K 1, where k 2 is the rate constant of the rate-limiting slow second step and K 1 is the equilibrium constant of the rapid
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