Niobocene dichloride

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Niobocene dichloride
Names
IUPAC name
Dichloridobis (η5-cyclopentadienyl)niobium
Other names
Niobocene dichloride
Identifiers
3D model (
JSmol
)
ChemSpider
ECHA InfoCard
 100.159.630 Edit this at Wikidata
EC Number
  • 631-385-9
RTECS number
  • QU0400000
  • InChI=1S/2C5H5.2ClH.Nb/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
    Key: CYMWZQTUXXEBCR-UHFFFAOYSA-L
  • [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.Cl[Nb]Cl
Properties
C10H10Cl2Nb
Molar mass 294 g/mol
Appearance brown solid
Melting point dec.
Boiling point dec.
soluble (hydrolysis)
Solubility in other solvents sparingly in
chlorocarbons
Hazards
GHS labelling:[1]
GHS07: Exclamation mark
Warning
H315, H319, H335
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
Related compounds
Related compounds
 Cp2TiCl2
Cp2MoCl2

Cp2VCl2

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Niobocene dichloride is the

paramagnetic brown solid is a starting reagent for the synthesis of other organoniobium compounds. The compound adopts a pseudotetrahedral structure with two cyclopentadienyl and two chloride substituents attached to the metal. A variety of similar compounds are known, including Cp2TiCl2
.

Preparation and structure

It was originally reported by

niobium pentachloride with cyclopentadienylsodium:[3]

NbCl5 + 6 NaC5H5 → 5 NaCl + (C5H5)4Nb + organic products
(C5H5)4Nb + 2 HCl + 0.5 O2 → [{C5H5)2NbCl}2O]Cl2 + 2 C5H6
2 HCl + [{(C5H5)2NbCl}2O]Cl2 + SnCl2 → 2 (C5H5)2NbCl2 + SnCl4 + H2O

The compound adopts a "clamshell" structure characteristic of a

HOMO in this class of complex.[4]

Applications and further work

Unlike the related zirconacene and titanocene dichlorides, no applications have been found for this compound, although it has been studied widely. It was investigated as a potential anti-cancer agent.[5]

References

  1. ^ "Bis(cyclopentadienyl)niobium(IV) dichloride". pubchem.ncbi.nlm.nih.gov. Retrieved 14 December 2021.
  2. doi:10.1021/ja01646a008
    .
  3. ISBN 978-0-471-52619-3. {{cite book}}: |journal= ignored (help
    )
  4. doi:10.1107/S0567740874007011
  5. PMID 11566334
    .
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