Below shows the calculated structure of phenol. Notice the bent formation to compensate for the unpaired electrons to give the lowest energy.
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Highest Occupied Molecular Orbital. This being the non-bonding 2p orbital
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Lowest Unoccupied Molecular Orbital. This being the Anti-bonding 2p orbital.
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Electrostatic Potential and labeled Partial Atomic Charges. The middle electron is stripped of some of its electrons by the peripheral bonding oxygens.
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Vibrational Energies were also calculated.
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2012-08-09 20:37 on Feb 26, 2013.