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Energy profile (chemistry)
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<p>In <a href="/facts/Theoretical_chemistry/uqcyS5KH">theoretical chemistry</a>, an energy profile is a theoretical representation of a <a href="/facts/Chemical_reaction/GpqWlKrz">chemical reaction</a> or <a href="/facts/Chemical_process/EBSGtK3y">process</a> as a single energetic pathway as the <a href="/facts/Reactant/c3GLInCu">reactants</a> are transformed into <a href="/facts/Product_(chemistry)/8uCoDUdv">products</a>. This pathway runs along the <a href="/facts/Reaction_coordinate/3ttAGUY0">reaction coordinate</a>, which is a <a href="/facts/Parametric_equation/5Uvrlgqf">parametric curve</a> that follows the pathway of the reaction and indicates its progress; thus, energy profiles are also called reaction coordinate diagrams. They are derived from the corresponding <a href="/facts/Potential_energy_surface/YDUNcSM8">potential energy surface</a> (PES), which is used in <a href="/facts/Computational_chemistry/KyuCgRV3">computational chemistry</a> to model chemical reactions by relating the energy of a molecule(s) to its <a href="/facts/Chemical_structure/r5rT1Lj4">structure</a> (within the <a href="/facts/Born%E2%80%93Oppenheimer_approximation/hxlUcBrX">Born–Oppenheimer approximation</a>). </p> <p>Qualitatively, the reaction coordinate diagrams (one-dimensional energy surfaces) have numerous applications. Chemists use reaction coordinate diagrams as both an analytical and pedagogical aid for rationalizing and illustrating <a href="/facts/Chemical_kinetics/D8vyX4aE">kinetic</a> and <a href="/facts/Chemical_thermodynamics/dIQMQsd0">thermodynamic</a> events. The purpose of energy profiles and surfaces is to provide a qualitative representation of how potential energy varies with molecular motion for a given reaction or process. </p>