FRONTIER MOLECULAR ORBITALS OF COMMON METAL COMPLEXES DERIVED FROM SQUARE PLANAR METAL FRAGMENTS


This page connects you to the pages with frontier molecular orbitals of typical molecules with square planar geometry.
As most of the species in this group have a d8 electronic configuration, the base molecule is [PtCl4]2- 
As a standard sigma donor, we use hydride ligands. Chloride is a π donor.
All web pages were generated using WEBMO and the calculations were carried out using GAUSSIAN suite of programs.  

To return to the main table of ligands and complexes click here.

SQUARE PLANAR
Molecules and Fragments
 MOLECULE GEOMETRY MOLECULAR ORBITALS VIBRATIONS Comments






[PtCl4]2-
 [PtCl4]2-
[PtCl4]2- [PtCl4]2-


[PtCl3]-
[PtCl3]-














Zeiss Complex
 Perpendicular Olefin
 [PtCl3(C2H4)]-1
 [PtCl3(C2H4)]-1


Parallel Olefin [PtCl3(C2H4)]-1 [PtCl3(C2H4)]-1 Transition State

Fragments






C2H4


[ PtCl3]-1 T-shaped [PtCl3]-1








Hydride Analog of Zeiss Complex
 Perpendicular Olefin
 [PtH3(C2H4)]-1 [PtH3(C2H4)]-1 Transition State


Parallel Olefin [PtH3(C2H4)]-1 PtH3(C2H4)]-1



[PtH3]







Cis Dihydride chloro platinate  Complex of ethylene trans[PtClH2(C2H4)]-1 Perpendicular Olefin Trans[PtClH2(C2H4)]-1 trans[PtClH2(C2H4)]-1


Parallel Olefin Trans[PtClH2(C2H4)]-1 trans[PtClH2(C2H4)]-1

[Pt(H)2Cl]-1 T shaped Trans[PtClH2]-1
species relevant to perpendicular orientation


Arrow shaped [PtClH2]-1
species relevant to parallel orientation







Ni(PH3)2(C2H2) Planar (Parallel) Ni(PH3)2(C2H2) Ni(PH3)2(C2H2)



Ni(PH3)2




 BENT (C2H2)




Ni(CO)2(C2H2) Ni(CO)2(C2H2)



Ni(CO)2




(C2H2)