![Page 1: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/1.jpg)
SALCS for Common Geometries (bonding)
CN = 2
![Page 2: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/2.jpg)
SALCS for Common Geometries (bonding)
EC3v
CN = 3
A1
![Page 3: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/3.jpg)
SALCS for Common Geometries (bonding)CN = 3
![Page 4: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/4.jpg)
SALCS for Common Geometries (bonding)
CN = 4
![Page 5: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/5.jpg)
SALCS for Common Geometries (bonding)
CN = 4
D4h
B1g
Eu
A1g
![Page 6: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/6.jpg)
SALCS for Common Geometries (bonding)CN = 5
![Page 7: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/7.jpg)
SALCS for Common Geometries (bonding)
CN = 6
![Page 8: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/8.jpg)
Construction of MO diagrams for Transition Metal Complexes
bonding only scenario
![Page 9: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/9.jpg)
Example: Constructing a MO forHexammine Ruthenium, [Ru(NH3)6]2+, [ ( 3)6]
NH3
NH3
2+
RuH3N NH3
point group = Oh
H3NNH3
h 48p g p h
Ru bonding AOsOh E 8C3 6C2 6C4 3C2 i 6S4 8S6 3 h 6 d /h
6 0 0 2 2 0 0 0 4 2
h = 48
A1g : 5sT1u : (5px , 5py , 5pz)Eg : (4dx2‐y2 , 4dz2 )
A1g 6 0 0 12 6 0 0 0 12 12 48 1A2g 6 0 0 -12 6 0 0 0 12 -12 0 0Eg 12 0 0 0 12 0 0 0 24 0 48 1
Pd non‐bonding AOs
T2g : (4dxy, 4dxz, 4dyz)
gT1g 18 0 0 12 -6 0 0 0 -12 -12 0 0T2g 18 0 0 -12 -6 0 0 0 -12 12 0 0A1u 6 0 0 12 6 0 0 0 -12 -12 0 0A2u 6 0 0 -12 6 0 0 0 -12 12 0 0Eu 12 0 0 0 12 0 0 0 -24 0 0 0T1u 18 0 0 12 -6 0 0 0 12 12 48 1T2u 18 0 0 -12 -6 0 0 0 12 -12 0 0
![Page 10: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/10.jpg)
![Page 11: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/11.jpg)
![Page 12: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/12.jpg)
Ru2+ 6NH3
NH3
RuH3N NH3H3N
NH3
NH3
2+
33
Eg
T
A1g
T1u
dx2-y2dz2
![Page 13: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/13.jpg)
Ru2+ 6NH3
NH3
RuH3N NH3H3N
NH3
NH3
2+
5p (t1u)
33
5s (a1g)
p ( 1u)Eg
T
4d (t2g , eg) A1g
T1u
eg
dx2-y2dz2
a
t1u
g
a1g
![Page 14: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/14.jpg)
Ru2+ 6NH3
NH3
RuH3N NH3H3N
NH3
NH3
2+
5p (t1u)
33
5s (a1g)
p ( 1u)Eg
T
4d (t2g , eg) A1g
T1u
eg
dx2-y2dz2
a
t1u
g
a1g
![Page 15: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/15.jpg)
Eg
T
A1g
T1u
dx2-y2dz2
![Page 16: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/16.jpg)
Ru2+ 6NH3
NH3
RuH3N NH3H3N
NH3
NH3
2+
5p (t1u)
3
t1u*
3
5s (a1g)
p ( 1u)a1g
*Eg
T
4d (t2g , eg) A1g
T1u
eg
dx2-y2dz2
a
t1u
g
a1g
a1g
t1u
![Page 17: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/17.jpg)
Eg
T
A1g
T1u
dx2-y2dz2
![Page 18: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/18.jpg)
Eg
T
A1g
T1u
dx2-y2dz2
![Page 19: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/19.jpg)
Ru2+ 6NH3
NH3
RuH3N NH3H3N
NH3
NH3
2+
5p (t1u)
3
t1u*
3
5s (a1g)
p ( 1u)a1g
*Eg
T
4d (t2g , eg) t2g
eg*
A1g
T1u
eg
dx2-y2dz2
a
t1u
g
eg
a1g
a1g
t1u
![Page 20: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/20.jpg)
Ru2+ 6NH3
NH3
RuH3N NH3H3N
NH3
NH3
2+
5p (t1u)
3
t1u*
3
5s (a1g)
p ( 1u)a1g
*Eg
T
LUMO
4d (t2g , eg) t2g
eg*
A1g
T1u
O
eg
dx2-y2dz2
HOMO
a
t1u
g
eg
a1g
a1g
t1u
![Page 21: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/21.jpg)
Example: Constructing a MO forPlatinum Tetrachloride, [PtCl4]2‐, [ 4]
dh 16
Pt bonding AOsD4h E 2C4 C2 2C2' 2C2'' i 2S4 h 2 v 2 d /h
4 0 0 2 0 0 0 4 2 0
h = 16
A1g : 5s , 4dz2
Eu : (5px , 5py)B1g : 4dx2‐y2
A1g 4 0 0 4 0 0 0 4 4 0 16 1A2g 4 0 0 -4 0 0 0 4 -4 0 0 0B1g 4 0 0 4 0 0 0 4 4 0 16 1
Pd non‐bonding AOsA2u : 5pzB2g : 4dxy
gB2g 4 0 0 -4 0 0 0 4 -4 0 0 0Eg 8 0 0 0 0 0 0 -8 0 0 0 0A1u 4 0 0 4 0 0 0 -4 -4 0 0 0A2u 4 0 0 -4 0 0 0 -4 4 0 0 0
gEg : (4dxz, 4dyz)B1u 4 0 0 4 0 0 0 -4 -4 0 0 0
B2u 4 0 0 -4 0 0 0 -4 4 0 0 0Eu 8 0 0 0 0 0 0 8 0 0 16 1
![Page 22: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/22.jpg)
![Page 23: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/23.jpg)
![Page 24: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/24.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
p z
![Page 25: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/25.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
5p (a2u , eu)
5s (a1g)p z
4d (a1g , b1g , b2g , eg)
b1g
a1g
eu
a1g
![Page 26: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/26.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
5p (a2u , eu)
a1g*
5s (a1g)p z
4d (a1g , b1g , b2g , eg)
b1g
a1g
eu
g
a1g
![Page 27: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/27.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
5p (a2u , eu)
a1g*
5s (a1g)
a1g*
p z
4d (a1g , b1g , b2g , eg)
b1g
a1g
eu
g
a1g
![Page 28: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/28.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
5p (a2u , eu)
a1g*
5s (a1g)
a1g*
p z
4d (a1g , b1g , b2g , eg)
b1g
a1g
eu
g
a1g
![Page 29: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/29.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
e *
5p (a2u , eu)
eu
a1g*
5s (a1g)
a1g*
p z
4d (a1g , b1g , b2g , eg)
b1g
a1g
eu
g
a1g
eu
![Page 30: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/30.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
e *
5p (a2u , eu)
eu
a1g*
5s (a1g)
a1g*
b1g*p z
4d (a1g , b1g , b2g , eg)
b1g
a1g
eub1g
g
a1g
eu
![Page 31: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/31.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
e *
5p (a2u , eu)
eu
a1g*
5s (a1g)
a1g*
b1g*p z
4d (a1g , b1g , b2g , eg)eg
b2g
b1g
a1g
eub1g
g
a1g
eu
![Page 32: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/32.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
e *
5p (a2u , eu)
eu
a2
a1g*
5s (a1g)
a1g*
b1g*
a2up z
4d (a1g , b1g , b2g , eg)eg
b2g
b1g
a1g
eub1g
g
a1g
eu
![Page 33: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/33.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
e *
5p (a2u , eu)
eu
a2
a1g*
5s (a1g)
a1g*
b1g*
a2up z
4d (a1g , b1g , b2g , eg)eg
b2g
b1g
a1g
eub1g
g
a1g
eu
![Page 34: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/34.jpg)
Pt2+ 4Cl-PtCl ClCl
Cl 2-
e *
5p (a2u , eu)
eu
a2
a1g*
5s (a1g)
a1g*
b1g*
a2up z
LUMO
4d (a1g , b1g , b2g , eg)eg
b2g
HOMO
b1g
a1g
eub1g
g
a1g
eu
![Page 35: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/35.jpg)
Example: Constructing a MO for Tetrakis(triphenylphosphine)Palladium, Pd(PPh3)4( p y p p ) , ( 3)4
Pd bonding AOs
A1 : 6sT2 : (6px , 6py , 6pz)
(5dxy, 5dxz, 5dyz)
Pd non‐bonding AOs
E : (5dx2‐y2 , 5dz2 )
![Page 36: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/36.jpg)
Construction of SALCs for bonding in Td complexes
• Consider first the A1 SALC. It must have the same symmetry of the s orbital on
the central metal atom This requires that it be everywhere positive andthe central metal atom. This requires that it be everywhere positive and
unchanged by all symmetry operations
A1 1 + 2 + 3 + 4
2
4
1
3
![Page 37: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/37.jpg)
Construction of SALCs for bonding in Td complexes
• The T2 SALC’s must match the symmetries of the (px , py , pz ) and (dxy, dxz, dyz)orbitals, e.g. must have positive amplitude where the p orbital is positive andnegative amplitude where the p orbitals are negativenegative amplitude where the p orbitals are negative.
1 ‐ 2 + 3 ‐ 4
T2 1 ‐ 2 ‐ 3 + 42 1 2 3 4
1 + 2 ‐ 3 ‐ 4
4
2
1
3
![Page 38: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/38.jpg)
Construction of SALCs for bonding in Td complexes
![Page 39: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/39.jpg)
AOs
dxy dxzdyz dz2 dx2-dy2
SALCs
T2(1 node)
T2(1 node)
MOs
![Page 40: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/40.jpg)
dx2-y2dz2 dx -ydz
![Page 41: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/41.jpg)
Pd0 6PPh3
PPh3
Pd PPh3Ph3P PPh3
6p (t2)
6s (a1)
5d (t2 , e)
dx2-y2dz2
a1
t2dx -ydz
![Page 42: SALCS for Common Geometries bonding)employees.oneonta.edu/viningwj/Chem342/SigmaMOdiagramsforTMs.pdfExample: Constructing a MO for Platinum Tetrachloride , 2[PtCl 4] ‐ d h 16 Pt](https://reader036.vdocuments.site/reader036/viewer/2022071417/6114404b4a5378058503e722/html5/thumbnails/42.jpg)
dx2-y2dz2 dx -ydz
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dx2-y2dz2 dx -ydz
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dx2-y2dz2 dx -ydz
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dx2-y2dz2 dx -ydz
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dx2-y2dz2 dx -ydz
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dx2-y2dz2 dx -ydz
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dx2-y2dz2 dx -ydz
The tetrahedral geometry is electronicallyfavored by d4 or d10 metal complexeswhere the non‐bonding orbitals are either1/2 or entirely filled, respectively.
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LUMO
HOMO
dx2-y2dz2
t
dx -ydz
The tetrahedral geometry is electronicallyfavored by d4 or d10 metal complexeswhere the non‐bonding orbitals are either1/2 or entirely filled, respectively.