Figure 4a and 4b. The Berry and Lever Mechanisms for Exchange of Axial and Equatorial Atoms in SF4

A: Calculated Ground State Structure for SF4
Viewing tools:


Impose an orange/blue color scheme to follow the atoms undergoing exchange:
Begin equatorial and become axial orange
Begin axial and become equatorial blue
 		Calculated Transition State (Berry Mode)
Viewing Tools:
Tools to view the Berry Exchange Mechanism
  1. Turn
  2. Displacement

  3. Compare to A
  4. View one Cycle of the Vibration:

    Compare final point (b) to B. Step 4 is the full motion: A to B
B: Calculated Ground State Structure for SF4
Viewing tools:


Impose an orange/blue color scheme to follow the atoms undergoing exchange:
Begin equatorial and become axial orange
Begin axial and become equatorial blue
C: Calculated Ground State Structure for SF4
Viewing tools:


Impose a red/orange/green/blue color scheme to follow the atoms undergoing exchange:
Begin and end equatorial red
Begin equatorial and become axial orange
Begin axial and end axial green
Begin axial and become equatorial blue
 Calculated Transition State (Lever Mode)
Viewing Tools:
Tools to view the Lever Exchange Mechanism
  1. Turn
  2. Displacement

  3. Compare to C
  4. View one Cycle of the Vibration:

    Compare final point (d) to D. Step 4 is the full motion: C to D
D: Calculated Ground State Structure for SF4
Viewing tools:


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