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Figure 1. A generic More O’Ferrall–Jencks plot. R, I(1), I(2) and P stand for reactant(s), intermediate(s) 1, intermediate(s) 2 and product(s) respectively. The thick arrows represent movement of the transition state (black dot) parallel and perpendicular to the diagonal (red line). The thin arrow is the vector sum of the thick arrows.
In simplest terms, a potential energy surface or PES is a mathematical or graphical representation of the relation between energy of a molecule and its geometry. The methods for describing the potential energy are broken down into a classical mechanics interpretation (molecular mechanics) and a quantum mechanical interpretation.
A key feature of the diagram is that the amount of energy expended or received by the system as work can be measured because the net work is represented by the area enclosed by the four lines. In the figure, the processes 1-2-3 produce a work output, but processes from 3-4-1 require a smaller energy input to return to the starting position ...
Energy profiles describe potential energy as a function of geometrical variables (PES in any dimension are independent of time and temperature). H+H2 Potential energy surface. We have different relevant elements in the 2-D PES: The 2-D plot shows the minima points where we find reactants, the products and the saddle point or transition state.
There are various types of potential energy, each associated with a particular type of force. For example, the work of an elastic force is called elastic potential energy; work of the gravitational force is called gravitational potential energy; work of the Coulomb force is called electric potential energy; work of the strong nuclear force or weak nuclear force acting on the baryon charge is ...
A thermodynamic potential (or more accurately, a thermodynamic potential energy) [1] [2] is a scalar quantity used to represent the thermodynamic state of a system. Just as in mechanics , where potential energy is defined as capacity to do work, similarly different potentials have different meanings.
In solid-state physics of semiconductors, a band diagram is a diagram plotting various key electron energy levels (Fermi level and nearby energy band edges) as a function of some spatial dimension, which is often denoted x. [1] These diagrams help to explain the operation of many kinds of semiconductor devices and to visualize how bands change ...
[2] If the potential energy is set to zero at infinite distance from the atomic nucleus or molecule, the usual convention, then bound electron states have negative potential energy. If an atom, ion, or molecule is at the lowest possible energy level, it and its electrons are said to be in the ground state.