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Crystal Field Theory
- crystal field theory lecture notes.pdf
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Based on electro-static interactions
between ligands with d-orbitals
- 2 d-orbitals have stronger ligand interaction than the other 3
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The negative charge of ligand electron pairs
has more interaction with dz2 and dx2-y2
- Therefore dz2 and dx2-y2 have higher
energy than the 3 other d-orbitals
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Filling the Valence electrons of the metal
into the split d-levels, we can estimate the
color and magnetism of the molecule
- Example: compare 2 Ni(II) compounds
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Different ligands cause different
energy splitting on the same metal center
- Topic
- Ligands can be ordered for their splitting
in the spectochemical series:
CO = CN(-) > NH3 > H2O > X(-)
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Sometimes distortion of
high symmetry has electronic
benefit = Jahn Teller Effect
- JT Effect octahedral complex
- Ligand Field Theory
- MO Theory
- Group Theory
(Symmetry)
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Center Atom: Transition Metal
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Valence electrons
are in d-shell
- 2 groups: on the axis and between
- act as electron acceptor
= Lewis acid
- s- and d-orbitals have the same energy
=> we count all valence electrons as d-electrons
example: Fe = 8 VE
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Ligands are
electronpair donors
(Lewis basis)
- Molecules with lone pairs
like NH3, PR3, H2O, Cl(-), -O(-)
- Molecules with pi-bonds
like R2C=CR2
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18 electron rule:
sum of valence electrons
and bonding electrons = 18
is the most stable case
- example:
Fe(CO)5, [Fe(CN)6](3-),
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Coordination numbers
- mostly octahedral,
for Fe and Mn pentagonal,
for Ni-group square planar,
for Cu-group trigonal or linear