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)
| FRAGMENTS FROM TRIGONAL BIPYRAMIDS | MOLECULE | GEOMETRY | MOLECULAR ORBITALS | VIBRATIONS | Comments |
| ML5
TBP |
Iron Pentacarbonyl | Iron Pentacarbonyl | |||
| Fe(CO)4(CH2) | EQ |
Fe(CO)4(CH2) | Fe(CO)4(CH2) | ||
| Fe(CO)4(FC) | AX | Fe(CO)4(FC) | Fe(CO)4(FC) | ||
| Fe(CO)4(C(OMe)2) | AX | Fe(CO)4(C(OMe)2) | Fe(CO)4(C(OMe)2) | ||
| Fe(CO)4(NHC_sat) | AX | Fe(CO)4(NHC) | Fe(CO)4(NHC) | ||
| Fe(CO)4(NHC) | AX | Fe(CO)4(NHC_sat) | Fe(CO)4(NHC_sat) | ||
| Fe(CO)4(OHC_sat) | BA(SQPY) | Fe(CO)4(OHC_sat) | Fe(CO)4(OHC_sat) | Ligand Unknown | |
| Fe(CO)4(OHC) | BA(SQPY) | Fe(CO)4(OHC) | Fe(CO)4(OHC) | Ligand Unknown | |
| FRAGMENT from TBP | Fe(CO)4 (- eq L) | Fe(CO)4 (- eq L) | Loss of Ethylene* |
||
| Fe(CO)4 (- ax L) | Fe(CO)4 (- ax L) | Loss of NHC* | |||
| [HFe(CO)4]- | [HFe(CO)4 ]- (axH) | [HFe(CO)4 ]- (axH) | |||
| ML4 Fe(CO)4 |
Fe(CO)4 (-Schrock carbene) | |
Fe(CO)4 (-SC) | Loss of Schrock Carbene* |
|
| ML4 Fe(CO)4 | Fe(CO)4 (-OHC) | Loss of OHC ligand from SqP | |||
| C3v ML3
Fe(CO)3 |
Fe(CO)3 C3v | Fe(CO)3 | Fe(CO)3 | ||
| D3h
ML3 |
[Pt(C2H4)3] | ||||
*Structure of Fe(CO)4 fragment after loss of L in the complex Fe(CO)4L
The links to other coordination geometries are organized in pages: CLICK the sentence given below.