All Questions
Tagged with symmetry transition-metals
11
questions
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Jahn-Teller Distortion: How to compare magnitudes (in Cu2+ complexes)?
Octahedral complex of copper(II) undergo structural distortion (Jahn-Teller). Which one of the given copper(II) complexes will who the maximum structural distortion? (en - ethylenediamine)
(A) $[Cu(...
1
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0
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202
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Tetrahedral complex and vibronic coupling or different rule for d-d transition?
I'm currently preparing a few slides for an upcoming talk in our group. I would like to mention some of the very basics regarding crystal field and ligand field theory as well, though this will not be ...
- 4,322
6
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2
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636
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Chromium cyanide complexes
I have rarely seen any chromium $(\ce{Cr})$ square planar complexes and I have been told that $\ce{[Cr(CN)4]-}$ is tetrahedral.
So, if the statement is actually correct, are there any other known ...
- 333
2
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1
answer
737
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ligand pi system irreducible representation for trigonal bipyramidal transition metal complex
I am considering a D$_{3h}$ trigonal bipyramidal transition metal complex MX$_5$. I have found that the irreducible representation for the ligand s and $\sigma$ systems is 2A$_1'$+A$_2''$+E$'$. I ...
- 353
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Does Ni(H2O)6 have Oh symmetry or Th?
I optimized a geometry of $\ce{Ni(H2O)6}$ using quantum chemistry and got a molecule which is symmetrical for the $\ce{Ni-O}$ distances as shown
here:
In the literature it says that this complex has ...
- 9
6
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answer
268
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Symmetry and SALC: choosing coordinate basis
When we construct symmetry adapted linear combinations of orbitals (aka SOs) to build an MO diagram, we choose the z axis as the axis of highest symmetry and all other axis to make symmetry operations ...
- 1,696
12
votes
1
answer
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Derivation of the Orgel diagram for octahedral d2 complexes
The Orgel diagram for a typical octahedral $\mathrm{d^2}$ complex is shown below:
(source: Kettle, Physical Inorganic Chemistry, p 146)
I understand that the right-hand half of the graph shows how ...
- 71.5k
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answer
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How do I find the ground state term symbol for transition metal complexes?
I have a problem where I'm trying to match metal complexes with the proper ground state term symbol. I've tried doing a Google search and looking for a process, but haven't had any luck. I decided ...
- 355
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1
answer
452
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How do I determine the number and order of ligand orbitals?
I am trying to create interaction diagrams for transition metal species by reducing the representations for both $\sigma$ and $\pi$ ligand orbital sets and mixing them with the metal orbitals. The ...
- 2,354
2
votes
1
answer
666
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Orbital mixing in square planar D4h complexes
Consider a square planar $\ce{ML4}$ complex with $D_\mathrm{4h}$ symmetry. Which orbital should the $\mathrm{a_{1g}}$ SALC of the ligands mix with, $\mathrm{3d}_{z^2}$ or $\mathrm{4s}$? Both of those ...
- 21
7
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How do I determine the crystal field splitting for an arbitrary point group?
How can I figure out the degeneracy of the d orbitals for a site that has a given point group? Specifically I'm interested in $D_{3d}$ and $D_{3h}$, but it would be good to know how to do it in the ...
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