COMmon Fragments in ORorganomeTallic chemistry

& their molecular orbitals (COMFORT)

This page connects you to the pages with frontier molecular orbitals of several organometallic molecules and repeatedly encountered molecular fragments .

All web pages were generated using WEBMO and the calculations were carried out using GAUSSIAN suite of programs. 

Using these web page effectively requires some tricks which are given here in the link: Short Video on COMFORT  (https://youtu.be/WZ3-eGsOiBs) 

LIGAND FAMILIES             METAL POLYHEDRA            METAL SANDWICHES

REPRESENTATIVE EXAMPLES OF METAL COMPLEXES & FRAGMENTS OF KEY POLYHEDRA

CLICK ON THE LEFTMOST COLUMN FOR FULL LIST!
LINEAR [Au(CO)2]+

TRIGONAL
[Pt(C2H4)3] [Pt(C2H4)2]
TETRAHEDRA Ni(CO)4

SQUARE PLANAR
[PtCl4]2-
[PtCl3(C2H4)]-
TRIGONAL BIPYRAMID Fe(CO)5 Fe(CO)4
SQUARE PYRAMID Mn(CO)5 [Mn(CO)5]+ [Mn(CO)5]-
OCTAHEDRA Cr(CO)6 [(MeC)Cr(CO)5]+ MeMn(CO)5
CAPPED PRISM W(CO)(C2H2)3



The links to other molecules are organized in other pages reachable by CLICKING the sentences given below.

The ligands are organized by the number of carbons that are attached to the metal in a complex.


Eta-2 complexes are grouped under 2_CARBON_LIGANDS while Eta-3 allylic ligands are grouped under 3_CARBON-LIGANDS

Sandwiches are classified by the largest number of carbons that bond to the metal.