COMmon Fragments in ORorganomeTallic chemistry

& their molecular orbitals (COMFORT)

This page connects you to the pages with frontier molecular orbitals of several ligands.
Some of the most useful ligands repeatedly encountered in organometallic chemistry, such as phosphines and hydrides are also included although they do not contain carbon.

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


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

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

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

LIGAND FAMILY

REPRESENTATIVE EXAMPLES

CLICK ON THE LEFTMOST COLUMN FOR FULL LIST!
SUPPORTING LIGANDS
 NO+
 PF3
1_CARBON_LIGANDS
 CO
2_CARBON_LIGANDS ETHYLENE
3_CARBON_LIGANDS [ALLYL]-
4_CARBON_LIGANDS BUTADIENE Cyclobutadiene (triplet)
5_CARBON_LIGANDS CYCLOPENTADIENYL ANION CYCLOPENTADIENYL ANION
6_CARBON_LIGANDS ARENES
 Benzene
7_CARBON_LIGANDS Tropilium cation
 CYCLOHEPTATRIENYL CATION
8_CARBON_LIGANDS COT [COT]2-

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

The metal complexes are organized by the closest symmetrical polyhedron they approximate to.Thus Ni(CO)4 is listed as a tetrahedron and Cr(CO)6 an octahedron.

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