(Cyclooctatetraene)iron tricarbonyl

(Cyclooctatetraene)iron tricarbonyl
Names
	Other names Tricarbonyl(cyclooctatetraene)iron
Identifiers
CAS Number	12093-05-9;
3D model (JSmol)	Interactive image;
ChemSpider	9611340;
ECHA InfoCard	100.150.780
EC Number	621-975-4;
PubChem CID	11436476;
	InChI InChI=1S/C8H8.3CO.Fe/c1-2-4-6-8-7-5-3-1;3*1-2;/h1-8H;;;;/b2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-;;;; Key: XAOCYVWRKJTXOL-JGZYGLCTSA-N;
	SMILES [C]=O.[C]=O.[C]=O.C\1=C\C=C/C=C\C=C1.[Fe];
Properties
Chemical formula	C11H8FeO3
Molar mass	244.027 g·mol−1
Appearance	orange solid
Hazards
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H302, H312, H332
Precautionary statements	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
Related compounds
Related compounds	Tris(cyclooctatetraene)triiron
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

(Cyclooctatetraene)iron tricarbonyl is the organoiron compound with the formula (C₈H₈)Fe(CO)₃. Like other examples of (diene)Fe(CO)₃ complexes, it is an orange, diamagnetic solid. Although several isomers are possible, only the η⁴-C₈H₈ complex is observed. The complex is an example of a ring-whizzer, since, on the NMR time-scale, the Fe(CO)₃ center migrates around the rim of the cyclooctatetraene ligand.^[1]

References

^ Cotton, F. Albert; Hunter, Douglas L. (1976). "Carbon-13 Nuclear Magnetic Resonance Study of the Fluxional Behavior of Cyclooctatetraenetricarbonyliron and -Ruthenium". Journal of the American Chemical Society. 98 (6): 1413–1417. Bibcode:1976JAChS..98.1413C. doi:10.1021/ja00422a022.

[1] Cotton, F. Albert; Hunter, Douglas L. (1976). "Carbon-13 Nuclear Magnetic Resonance Study of the Fluxional Behavior of Cyclooctatetraenetricarbonyliron and -Ruthenium". Journal of the American Chemical Society. 98 (6): 1413–1417. Bibcode:1976JAChS..98.1413C. doi:10.1021/ja00422a022.

[1]