Why is the CFSE for d6 not equal to -24Dq+3p in crystal field theory?

In summary, the conversation is about crystal field stabilization in the strong field case for various electron configurations, specifically d4-d8. The CFSE values for these configurations are -16Dq+p, -20Dq+2p, -24Dq+2p, -18Dq+p, and -12Dq, respectively. The question is raised as to why the CFSE for d6 is -24Dq+2p instead of -24Dq+3p, as there are three pairing sets for the sixth electron. It is then mentioned that according to a source, this is the case for an octahedral complex, and that in some cases, the CFSE can become positive when the LS state
  • #1
flashmanbs
2
0
at crystal field stabilization in strong field case
d4 CFSE=-16Dq+p
d5 CFSE=-20Dq+2p
d6 CFSE=-24Dq+2p
d7 CFSE=-18Dq+p

d8 CFSE=-12Dq
it was shuld be +3P and +4 P
why it be +p,2p,2p,p ?
 
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  • #2
flashmanbs said:
at crystal field stabilization in strong field case
d4 CFSE=-16Dq+p
d5 CFSE=-20Dq+2p
d6 CFSE=-24Dq+2p
d7 CFSE=-18Dq+p

d8 CFSE=-12Dq
it was shuld be +3P and +4 P
why it be +p,2p,2p,p ?


Why do you believe that it should be + 3 and + 4? What equation are you using?
 
  • #3
my Q explain why the CFSE =-24Dq+2p at d6 not =-24Dq+3p?
like u see in fig. if we put the 6`th electron we have 3 paring set so we was should add 3p to the CFSE why we count them as 2P?
2628rbc.jpg
 
  • #4
flashmanbs said:
my Q explain why the CFSE =-24Dq+2p at d6 not =-24Dq+3p?
like u see in fig. if we put the 6`th electron we have 3 paring set so we was should add 3p to the CFSE why we count them as 2P?
2628rbc.jpg

You are right for this case where its Octahedral , scroll the link to page 9

http://www.chemistry.ucsc.edu/~tholman/Chem151A/LectureNotes/Week2.pdf

Is this an Octahedral complex? Also did they mention a specific metal ligand complex ; sometimes an LS becomes HS should the actual CFSE is found to be positive with the incorporation of the pairing energy?
 
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1. What is Q in crystal field theory?

Q is a parameter used in crystal field theory to describe the interaction between a metal ion and its surrounding ligands. It represents the strength of the ligand field and is calculated as the difference between the energy of the metal ion in the ligand field and its energy in a hypothetical spherical field.

2. How is Q related to the splitting energy in crystal field theory?

The value of Q directly affects the splitting energy in crystal field theory. A higher Q value indicates a stronger ligand field, leading to a larger splitting energy between the d orbitals of the metal ion. Conversely, a lower Q value indicates a weaker ligand field and a smaller splitting energy.

3. Can Q be negative in crystal field theory?

Yes, Q can be negative in crystal field theory. This occurs when the ligands have a higher energy than the metal ion in a hypothetical spherical field. A negative Q value indicates a weak ligand field, resulting in a smaller splitting energy between the d orbitals.

4. How does Q affect the color of transition metal complexes?

Q plays a crucial role in determining the color of transition metal complexes. The energy difference between the d orbitals, which is determined by Q, corresponds to the wavelength of light absorbed by the complex. Therefore, a higher Q value results in a higher energy difference and a shorter wavelength, leading to a more intense color.

5. What factors can influence the value of Q in crystal field theory?

The value of Q can be influenced by several factors such as the nature and arrangement of the ligands, the oxidation state of the metal ion, and the geometry of the complex. Additionally, the presence of other nearby metal ions or solvent molecules can also affect the value of Q.

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