Overview of molecular forces: Graph of a C=O Bond

Oliver Smart
(c) O.S. Smart 1995, all rights reserved
Back to looking at bond potential

Back to main Molecular Forces index

Back to main PPS course Index


Graph of the potential energy dependence for a C=O Bond

graph

This graph shows the potential energy for a C=O bond using a harmonic potential: E_bond = K_r (r-r_eq)^2,

with the parameters given in the AMBER potential energy function. The bond constant K_r is 570 kcal/(molÅ^2) and the equilibrium bond length is 1.229 Å ((1 Å = 1*10^-10 metre)) . The dashed red lines indicates an energy of 0.29 kcal/mol which is equal to 1/2RT at a temperature of 300K. This is the energy that an individual degree of freedom can expect at this temperature and indicates that a this bond could be expect to be undergoing vibrations of the order of 0.03 Å at room temperature.