Ozone

Molecular Orbital Calculations for Ozone

Below shows the calculated structure of phenol. Notice the bent formation to compensate for the unpaired electrons to give the lowest energy.

This molecule experimentally having a 116.80 bend and a bond length of 0.128 nm.

Highest Occupied Molecular Orbital. This being the non-bonding 2p orbital

Lowest Unoccupied Molecular Orbital. This being the Anti-bonding 2p orbital.

Electrostatic Potential and labeled Partial Atomic Charges. The middle electron is stripped of some of its electrons by the peripheral bonding oxygens.

Vibrational Energies were also calculated.

Based on template by A. Herráez as modified by J. Gutow

Page skeleton and JavaScript generated by export to web function using Jmol 12.2.34 2012-08-09 20:37 on Feb 26, 2013.

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