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Chemical compound From Wikipedia, the free encyclopedia
Bis(cyclooctatetraene)iron is an organoiron compound with the formula Fe(C8H8)2, abbreviated Fe(COT)2. It is an air-sensitive black solid that is soluble in diethyl ether and aromatic solvents. The compound decomposes in solution after a few days even under inert atmosphere.[2] It has no known practical applications but has been studied as a soluble source of Fe(0).
Identifiers | |
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3D model (JSmol) |
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PubChem CID |
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Properties | |
C16H16Fe | |
Molar mass | 264.149 g·mol−1 |
Density | 1.42 (from structure) |
Structure | |
Monoclinic | |
Cc or C2/c | |
a = 15.13, b = 10.68, c = 13.98 | |
Formula units (Z) |
12 |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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The laboratory synthesis of Fe(COT)2, using Schlenk techniques, involves reduction of ferric acetylacetonate by triethylaluminium in the presence of 1,3,5,7-cyclooctatetraene:[2]
According to analysis by single crystal X-ray crystallography, the two cyclooctatetraene rings bind differently to the Fe center, leading to the description Fe(η4-C8H8)(η6-C8H8). One cyclooctatetraene ring binds to Fe with two adjacent double bonds. This interaction is similar to that in (η4-C8H8)Fe(CO)3. The two planar groups formed by carbon atoms 1,2,7,8 and carbon atoms 3,4,5,6,7 form a dihedral angle of 33°. The second cyclooctatetraene ring binds through three double bonds. The shape and coordination of the lower ring is similar to that in (η6-C8H8)Mo(CO)3. The non-coordinated double bond has a similar bond length as an ordinary double bond.[1]
In solution, Fe(C8H8)2 is a fluxional molecule such that its 1H NMR spectrum consists of a singlet at room-temperature.[1]
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