Английская Википедия:Bis(cyclooctatetraene)iron

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Версия от 17:44, 9 февраля 2024; EducationBot (обсуждение | вклад) (Новая страница: «{{Английская Википедия/Панель перехода}} {{Chembox |ImageFile = Fe(cot)2.svg |ImageSize = 120 |Section1={{Chembox Identifiers |CASNo = 12184-52-0 |PubChem = 10923395 |InChI=1S/2C8H8.Fe/c2*1-2-4-6-8-7-5-3-1;/h2*1-8H;/b2*2-1-,3-1?,4-2?,5-3-,6-4-,7-5?,8-6?,8-7-; |InChIKey = MXSLSXKBFNCQNV-MZLYQNCSSA-N |SMILES = C\1=C\C=C/C=C\C=C1.C\1=C\C=C/C=C\C=C1.[Fe] }} |Section2={{Chembox Properties |C = 16 | H = 16 | Fe = 1 |Density = 1.42...»)
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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.[1] It has no known practical applications but has been studied as a soluble source of Fe(0).

Preparation

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:[1]

Fe(C5H7O2)3 + 2 C8H8 + 3 Al(C2H5)3 → Fe(C8H8)2 + 3 Al(C2H5)2(C5H7O2) + Шаблон:Frac C2H4 + Шаблон:Frac C2H6

Structure

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.[2]

In solution, Fe(C8H8)2 is a fluxional molecule such that its 1H NMR spectrum consists of a singlet at room-temperature.[2]

References