Spectra El Kompleks
Spectra El Kompleks
Spectra El Kompleks
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DE
The colors of metal complexes
Electronic configurations of multi-electron atoms
1S
2P
Classifying the microstates for p2
Largest ML is +2,
so L = 2 (a D term)
and MS = 0 for ML = +2,
2S +1 = 1 (S = 0)
1D
ML is 0, L = 0
2S +1 = 1
1S
Energy of terms (Hunds rules)
3P has S = 1, L = 1
Ground-state term
Coordination Chemistry
Electronic Spectra of Metal Complexes
cont.
Electronic configurations of multi-electron atoms
Russell-Saunders (or LS) coupling
p2
ML & MS
Microstate
Table
States (S, P, D)
Spin multiplicity
Terms
3P, 1D, 1S
d2
Laporte rule
g g forbidden (that is, d-d forbidden)
but g u allowed (that is, d-p allowed)
Spin rule
Transitions between states of different multiplicities forbidden
Transitions between states of same multiplicities allowed
Holes: = dn d10-n
and neglecting spin = dn d5+n;
same A t2 hole in d5,
splitting but reversed energies because positive. reversed energies,
reversed again
Expect oct d1 and d6 to behave same as tet d4 and d9
relative to
Expect oct d4 and d9 (holes), tet d1 and d6 to be reverse of oct d1 octahedral since tet.
d1 d6 d4 d9
Eg or E
T2g or T2
Energy D
T2g or T2
Eg or E
Energy
A2 or A2g
T1 or T1g
P T1 or T1g
T1 or T1g T2 or T2g
F
T2 or T2g
T1 or T1g
A2 or A2g
Real complexes
Tanabe-Sugano diagrams
d2
Electronic transitions and spectra
Other configurations
d3
d1 d9
d2 d8
Other configurations
d3
The limit between
high spin and low spin
Determining Do from spectra
d1 d9
mixing
E (T1gA2g) - E (T1gT2g) = Do
The d5 case
LMCT
Ligand character
Ligand character
MLCT
Metal character