Interchange of Axial and Equatorial Atoms in Trigonal Bipyramidal PF5

A: Calculated Ground State Structure for PF5
Viewing tools:
Impose a color scheme to follow the atoms undergoing exchange:
Begin and stay equatorial red
Begin equatorial and become axial orange
Begin axial and become equatorial blue

Animate one Berry Pseudo Rotation (BPR):
Takes A to B: then
Calculated Transition State
Viewing Tools:
Impose a color scheme to follow the exchange:
Begin and stay equatorial red
Begin equatorial and become axial orange
Begin axial and become equatorial blue
Viewing Calculated Motions
  2. Displacement

  3. Compare to A
  4. View one Cycle of the Vibration:
    Compare final point (b) to B. Note Step 4 is a Berry Pseudo Rotation: A to B
 B: Calculated Ground State Structure for PF5
Viewing tools:

Impose a color scheme to follow the atoms undergoing exchange:
Begin and stay equatorial red
Begin equatorial and become axial orange
Begin axial and become equatorial blue



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