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User:Barras/Ferrocene
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(contracted; show full)erican Chemical Society|volume=74|issue=19|pages=4971–4971|doi=10.1021/ja01139a527|issn=0002-7863}}</ref> Below 110 K, ferrocene crystallizes in an orthorhombic crystal lattice in which the Cp rings are ordered and eclipsed.<ref>{{Cite journal|last=Seiler|first=P.|last2=Dunitz|first2=J. D.|date=1982-06-15|title=Low-temperature crystallization of orthorhombic ferrocene: structure analysis at 98 K|url=http://scripts.iucr.org/cgi-bin/paper?S0567740882007080|journal=Acta Crystallographica Section B
 Structural Crystallography and Crystal Chemistry|language=en|volume=38|issue=6|pages=1741–1745|doi=10.1107/s0567740882007080|issn=0567-7408}}</ref> It has been shown through gas phase electron diffraction<ref>{{cite journal | last1 = Haaland | first1 = A. | last2 = Nilsson | first2 = J. E. | year = 1968 | title = The Determination of Barriers to Internal Rotation by Means of Electron Diffraction. Ferrocene and Ruthenocene | url = | journal = [[Acta Chemica Scandinavica|Acta Chem. Scand.]] | volume = 22 | issue = | pages = 2653–2670 | doi = 10.3891/acta.chem.scand.22-2653 }}</ref> and computational studies<ref>{{cite journal | last1 = Coriani | first1 = Sonia | last2 = Haaland | first2 = Arne | last3 = Helgaker | first3 = Trygve | last4 = Jørgensen | first4 = Poul | year = 2006 | title = The Equilibrium Structure of Ferrocene | url = | journal = [[ChemPhysChem]] | volume = 7 | issue = | pages = 245–249 | doi = 10.1002/cphc.200500339 }}</ref> that in the gas phase the Cp rings are eclipsed. The point group of the staggered conformation is D<sub>5d</sub> and the point group of the eclipsed conformation is D<sub>5h</sub>.  

The Cp rings rotate with a low barrier about the Cp<sub>(centroid)</sub>–Fe–Cp<sub>(centroid)</sub> axis, as observed by measurements on substituted derivatives of ferrocene using <sup>1</sup>H and <sup>13</sup>C [[nuclear magnetic resonance]] spectroscopy.  For example, methylferrocene (CH<sub>3</sub>C<sub>5</sub>H<sub>4</sub>FeC<sub>5</sub>H<sub>5</sub>) exhibits a singlet for the C<sub>5<(contracted; show full){{commons category|ferrocene}}

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[[Category:Antiknock agents]]
[[Category:Sandwich compounds]]
[[Category:Cyclopentadienyl complexes]]
[[Category:Ferrocenes]]