Ligand Field Stabilisation Energy (LFSE)


Calculate the LFSE (in terms of Δo) for the indicated d-electron configuration and geometry
1. d3 octahedral
2. d5 high-spin octahedral
3. d5 low-spin octahedral
4. d2 tetrahedral
5. d4 tetrahedral
6. d7 tetrahedral
7. d10 octahedral
8. d9 octahedral
9. d5 tetrahedral
10. d8 tetrahedral
11. d7 high-spin octahedral
12. d6 low-spin octahedral
13. d1 octahedral
14.
15.

 

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Solutions


  
1.

d3 octahedral

   
 

octahedral: total electrons − 3/5 × total electrons − antibonding electrons

3 − 3/5 × 3 − 0 = 3 − 9/5 − 0 = 6/5Δo

   
   
  
2.

d5 high-spin octahedral

 

octahedral: total electrons − 3/5 × total electrons − antibonding electrons

5 − 3/5 × 5 − 2 = 5 − 15/5 − 2 = 0Δo

   
   
  
3.

d5 low-spin octahedral

   
↿⇂ ↿⇂
 

octahedral: total electrons − 3/5 × total electrons − antibonding electrons

5 − 3/5 × 5 − 0 = 5 − 15/5 − 0 = 10/5Δo

   
   
  
4.

d2 tetrahedral

     
 

tetrahedral: total electrons − 2/5 × total electrons − antibonding electrons

2 − 2/5 × 2 − 0 = 2 − 4/5 − 0 = 6/5Δt

6/5Δt × (4/9Δo)/Δt = 8/15Δo

   
   
  
5.

d4 tetrahedral

 
 

tetrahedral: total electrons − 2/5 × total electrons − antibonding electrons

4 − 2/5 × 4 − 2 = 2 − 8/5 − 2 = 2/5Δt

2/5Δt × (4/9Δo)/Δt = 8/45Δo

   
   
  
6.

d7 tetrahedral

↿⇂ ↿⇂
 

tetrahedral: total electrons − 2/5 × total electrons − antibonding electrons

7 − 2/5 × 7 − 3 = 7 − 14/5 − 3 = 6/5Δt

6/5Δt × (4/9Δo)/Δt = 8/15Δo

   
   
  
7.

d10 octahedral

↿⇂ ↿⇂
↿⇂ ↿⇂ ↿⇂
 

octahedral: total electrons − 3/5 × total electrons − antibonding electrons

10 − 3/5 × 10 − 4 = 10 − 30/5 − 4 = 0Δo

   
   
  
8.

d10 octahedral

↿⇂
↿⇂ ↿⇂ ↿⇂
 

octahedral: total electrons − 3/5 × total electrons − antibonding electrons

9 − 3/5 × 9 − 3 = 10 − 27/5 − 3 = 3/5Δo

   
   
  
9.

d5 tetrahedral

 

tetrahedral: total electrons − 2/5 × total electrons − antibonding electrons

5 − 2/5 × 5 − 3 = 5 − 10/5 − 3 = 0Δt

t × (4/9Δo)/Δt = 0Δo

   
   
  
10.

d8 tetrahedral

↿⇂
↿⇂ ↿⇂
 

tetrahedral: total electrons − 2/5 × total electrons − antibonding electrons

8 − 2/5 × 8 − 4 = 8 − 16/5 − 4 = 4/5Δt

4/5Δt × (4/9Δo)/Δt = 16/45Δo

   
   
  
11.

d7 high-spin octahedral

↿⇂ ↿⇂
 

octahedral: total electrons − 3/5 × total electrons − antibonding electrons

7 − 3/5 × 7 − 2 = 7 − 21/5 − 2 = 4/5Δo

   
   
  
12.

d6 low-spin octahedral

   
↿⇂ ↿⇂ ↿⇂
 

octahedral: total electrons − 3/5 × total electrons − antibonding electrons

6 − 3/5 × 6 − 0 = 6 − 18/5 − 0 = 12/5Δo

   
   
  
13.

d1 octahedral

   
   
 

octahedral: total electrons − 3/5 × total electrons − antibonding electrons

1 − 3/5 × 1 − 0 = 1 − 3/5 − 0 = 2/5Δo

   
   
  
14.
   
   
  
15.
   
   
  

 

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