SLIDE 1
- Y. U. Sasidhar
r/a
φ θ π 2 cos sin ) 3 / exp( 2 81 1
2 2 2 2 / 3 3
2 2
a Zr r a Z a Z
y x
d
− = Ψ
−
) 3 / exp( 1 30 81 4
2 2 2 / 7 2 / 3 3
a Zr r a Z a R d − = ×
2 2
CFT, LFT, MOT It is all about d orbitals 3 d 2 2 x y 3 / 2 - - PowerPoint PPT Presentation
CFT, LFT, MOT It is all about d orbitals 3 d 2 2 x y 3 / 2 - - PowerPoint PPT Presentation
CFT, LFT, MOT It is all about d orbitals 3 d 2 2 x y 3 / 2 2 1 Z Z 2 2 = r exp( Zr / 3 a ) sin cos 2 3 d a a 2 2 81 2 x y
SLIDE 2
SLIDE 3
Angular nodes: x = ± y x/a y/a
+
- +
- φ
θ π 2 cos sin ) 3 / exp( 2 81 1
2 2 2 2 / 3 3
2 2
a Zr r a Z a Z
y x
d
− = Ψ
−
2 2 2
/ ) ( r y x −
2 2
3
y x
d
−
SLIDE 4
x/a y/a angular nodes: x=0, y=0
+
- +
- φ
θ π 2 sin sin ) 3 / exp( 2 81 1
2 2 2 2 / 3 3
a Zr r a Z a Z
xy
d
− = Ψ
2
/ r xy
xy
d 3
SLIDE 5
2 angular nodes
+ +
- z/a
x/a
( )
) 1 cos 3 ( ) 3 / exp( 1 6 81 1
2 2 2 2 / 7 2 / 3 3
2
− − = Ψ θ π a Zr a r Z a
dz
) 1 3 (
2 2
− r z
2
3
z
d
SLIDE 6
( )
) 1 cos 3 ( ) 3 / exp( 1 6 81 1
2 2 2 2 / 7 2 / 3 3
2
− − = Ψ θ π a Zr a r Z a
dz
2
3
z
d
SLIDE 7
( )
) 1 cos 3 ( ) 3 / exp( 1 6 81 1
2 2 2 2 / 7 2 / 3 3
2
− − = Ψ θ π a Zr a r Z a
dz
2
3
z
d
SLIDE 8
is only a nickname
Full label:
2
3 z d
2 2 2
2
3
y x z
d
− −
( )
) 1 cos 3 ( ) 3 / exp( 1 6 81 1
2 2 2 2 / 7 2 / 3 3
2
− − = Ψ θ π a Zr a r Z a
dz
) 1 3 (
2 2
− r z ) (
2 2 2
z y x + +
SLIDE 9
The eg and t2g groups
SLIDE 10
The eg and t2g groups
Which group is destabilized to a greater extent in an octahedral field? What are high spin and low spin complexes? Which configurations yield HS complexes? Which yield LS complexes?
SLIDE 11
Jahn Teller theorem
For any nonlinear molecular system in a degenerate electronic state, a distortion will occur so as to lower the symmetry and remove the degeneracy Nondegenerate systems: d3, d5 high spin, d6 low spin, d8, d10 Doubly degenerate: more pronounced Jahn-Teller distortions Triply degenerate: less pronounced Jahn-Teller distortions
SLIDE 12
Tetragonal distortion (axial ligands moving
- ut)
Oh to D4h b1g (dx2-y2) a1g (dz2) b2g (dxy) eg (dxz, dyz) What happens for a compression along z-axis? What happens in a square planar complex?
SLIDE 13
Molecular Orbital Theory
- Ligand
SALCs for an
- ctahedral
complex
- Metal AOs with matching symmetry
SLIDE 14
Molecular Orbital Theory: ML6, σ-bond only
σ-SALCs: a1g + eg + t1u 3d orbitals: eg + t2g 4s orbital: a1g 4p orbitals: t1u a1g a1g* t1u t1u* eg eg* t2g
SLIDE 15
Molecular Orbital Theory: ML6, σ-bonds
- nly
σ-SALCs: a1g + eg + t1u 3d orbitals: eg + t2g 4s orbital: a1g 4p orbitals: t1u a1g a1g* t1u t1u* eg eg* t2g 10Dq Electrons from ligand Electrons from Metal ion
SLIDE 16
Molecular Orbital Theory: ML6, σ-and π- bonds
σ-SALCs: a1g + eg + t1u 3d orbitals: eg + t2g 4s orbital: a1g 4p orbitals: t1u a1g a1g* t1u t1u* eg eg* t2g π-SALCs: t1g +t2g + t1u + t2u π(t2g) π∗(t2g) 10Dq t1u t1g + t2u
SLIDE 17
Revision and Home Work
- Tetrahedral ML4 complexes