Molybdocene dichloride

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Molybdocene dichloride
File:Cp2MoCl2-2D-skeletal.png
File:Cp2MoCl2-from-xtal-1974-3D-balls.png
Names
IUPAC name
dichlorobis(η5-cyclopentadienyl)molybdenum(IV)
Other names
molybdocene dichloride,
molybdenocene dichloride,
dichloridobis(cyclopentadienyl)molybdenum(IV)
Identifiers
3D model (JSmol)
ChemSpider
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  • InChI=1S/2C5H5.2ClH.Mo/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+2/p-2
    Key: QGGWSCVAFKWITK-UHFFFAOYSA-L
  • InChI=1/2C5H5.2ClH.Mo/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+2/p-2/r2C5H5.Cl2Mo/c2*1-2-4-5-3-1;1-3-2/h2*1-5H;/q2*-1;
    Key: QGGWSCVAFKWITK-OWLYHJECAX
  • [cH-]1cccc1.[cH-]1cccc1.Cl[Mo+2]Cl
Properties
C10H10Cl2Mo
Molar mass 297.04 g·mol−1
Appearance greenish-brown powder
insoluble, moisture sensitive
Hazards
Safety data sheet (SDS) [1]
Related compounds
Related compounds
Ferrocene
Zirconocene dichloride
Vanadocene dichloride
Niobocene dichloride
Titanocene dichloride
Tantalocene dichloride
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Molybdocene dichloride is the organomolybdenum compound with the formula (η5-C5H5)2MoCl2 and IUPAC name dichlorobis(η5-cyclopentadienyl)molybdenum(IV), and is commonly abbreviated as Cp2MoCl2. It is a brownish-green air- and moisture-sensitive powder. In the research laboratory, it is used to prepare many derivatives.

Preparation and structure

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The compound is prepared from molybdocene dihydride by treatment with chloroform:[2]

(C5H5)2MoH2 + 2 CHCl3 → (C5H5)2MoCl2 + 2 CH2Cl2

The compound adopts a "clamshell" structure where the Cp rings are not parallel, the average Cp(centroid)-M-Cp angle being 130.6°. The two chloride ligands are cis, the Cl-Mo-Cl angle of 82° being narrower than in niobocene dichloride (85.6°), which in turn is less than in zirconacene dichloride (92.1°). This trend helped to establish the orientation of the HOMO in this class of complex.[3]

Unlike the titanocene and zirconacene derivatives, the molybdocene compounds have yielded no commercial applications.

All metallocene dihalides exhibit some anti-cancer activity,[4] but these have not yielded useful compounds in the clinic.[5]

References

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  3. ^ K. Prout, T. S. Cameron, R. A. Forder, and in parts S. R. Critchley, B. Denton and G. V. Rees "The crystal and molecular structures of bent bis-π‑cyclopentadienyl-metal complexes: (a) bis-π‑cyclopentadienyl­dibromo­rhenium(V) tetrafluoroborate, (b) bis-π‑cyclopentadienyl­dichloro­molybdenum(IV), (c) bis-π‑cyclopentadienyl­hydroxo­methylamino­molybdenum(IV) hexafluorophosphate, (d) bis-π‑cyclopentadienyl­ethyl­chloro­molybdenum(IV), (e) bis-π‑cyclopentadienyl­dichloro­niobium(IV), (f) bis-π‑cyclopentadienyl­dichloro­molybdenum(V) tetrafluoroborate, (g) μ‑oxo-bis[bis-π‑cyclopentadienyl­chloro­niobium(IV)] tetrafluoroborate, (h) bis-π‑cyclopentadienyl­dichloro­zirconium" Acta Crystallogr. 1974, volume B30, pp. 2290–2304. Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
  4. ^ Lua error in Module:Citation/CS1/Configuration at line 2172: attempt to index field '?' (a nil value).
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