transition metal complex bonding and spectroscopy review n.
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Presentation Transcript
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Bonding:Donor-Acceptor Interactions Roles of metal and ligands Making MO Diagrams for Complexes Counting d-electrons Filling in the MO Diagram High spin/Low spin cases Comparing structures for bond strength

specific interactions for each d orbital based on ligand position
Specific Interactions for each d orbital based on ligand position

Use Angular Overlap parameters:

--for each d-orbital, add up the interactions for all the ligands

-- the total for that orbital determines how much higher its energy gets

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Example: Linear shape: ligands at positions 1 and 6dz2 dx2-y2dxydxzdyz1+1 0 0 0 0

MO Diagram:

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Example: Square pyramid shape: ligands at positions 1, 2, 3, 4, 5dz2 dx2-y2dxydxzdyz1+4(1/4) 4(3/4) 0 0 0

MO Diagram:

filling in electrons
Filling in Electrons

If gap is >=2, then need to consider high/low spin.

If gap is <2, then it is always high spin.

MO Diagram examples:

comparing overall bond order low spin case
Comparing Overall Bond Order: Low spin case

Square pyramid d6 case:

Oh d6 case:

comparing overall bond order high spin case
Comparing Overall Bond Order: High spin case

Square pyramid d6 case:

Oh d6 case:

spectroscopy 3 types of transitions 1 d d transitions wavelength vs bond strength 2 lmct 3 mlct
Spectroscopy: 3 types of transitions 1. d-d transitions wavelength vs. bond strength 2. LMCT 3. MLCT