Niobocene dichloride
{{chembox
| Watchedfields = changed
| verifiedrevid = 422372371
| ImageFile = Cp2NbCl2.png
| ImageSize = 100px
| ImageName =
| IUPACName = Dichloridobis (η5-cyclopentadienyl)niobium
| OtherNames = Niobocene dichloride
|Section1={{Chembox Identifiers
| CASNo_Ref = {{cascite|correct|??}}
| CASNo = 12793-14-5
| PubChem = 16211739
| RTECS = QU0400000
| EINECS = 631-385-9
| ChemSpiderID = 21251691
| StdInChI=1S/2C5H5.2ClH.Nb/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2
| StdInChIKey = CYMWZQTUXXEBCR-UHFFFAOYSA-L
| SMILES = [cH-]1cccc1.[cH-]1cccc1.Cl[Nb+2]Cl
}}
|Section2={{Chembox Properties
| Formula = C10H10Cl2Nb
| MolarMass = 294 g/mol
| Appearance = brown solid
| Density =
| Solubility = soluble (hydrolysis)
| Solvent = other solvents
| SolubleOther = sparingly in chlorocarbons
| MeltingPt = dec.
| BoilingPt = dec.
}}
|Section7={{Chembox Hazards
| GHSPictograms = {{GHS07}}
| GHSSignalWord = Warning
| HPhrases = {{H-phrases|315|319|335}}
| PPhrases = {{P-phrases|261|264|271|280|302+352|304+340|305+351+338|312|321|332+313|337+313|362|403+233|405|501}}
}}
|Section8={{Chembox Related
| OtherCompounds = Cp2TiCl2
Cp2MoCl2
}}
}}
Niobocene dichloride is the organometallic compound with the formula (C5H5)2NbCl2, abbreviated Cp2NbCl2. This 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 Geoffrey Wilkinson.{{cite journal |first1=G. |last1=Wilkinson |author-link1=Geoffrey Wilkinson |first2=J. G. |last2=Birmingham | title=Bis-cyclopentadienyl Compounds of Ti, Zr, V, Nb and Ta|journal=J. Am. Chem. Soc. | volume=76| issue=17| year=1954| pages=4281–4284 | doi=10.1021/ja01646a008}} It is prepared via a multistep reaction beginning with treatment of niobium pentachloride with cyclopentadienylsodium:{{cite book | author = C. R. Lucas | chapter = Dichlorobis(η 5 -Cyclopentadienyl) Niobium(IV) | title = Inorganic Syntheses | journal = Inorg. Synth. | date = 2007 | volume = 28 | pages = 267–270 | isbn = 978-0-471-52619-3 | doi = 10.1002/9780470132593.ch68}}
:{{chem2|NbCl5 + 5 NaC5H5 → 5 NaCl + (C5H5)4Nb + "C5H5"}}
:{{chem2|2 (C5H5)4Nb + 4 HCl + 0.5 O2 → [(C5H5)2NbCl]2OCl2 + 4 C5H6}}
:{{chem2| [(C5H5)2NbCl]2OCl2 + SnCl2 + 2 HCl → 2 (C5H5)2NbCl2 + SnCl4 + H2O}}
The compound adopts a "clamshell" structure characteristic of a bent metallocene where the Cp rings are not parallel, the average Cp(centroid)-M-Cp angle being about 130.3°. The Cl-Nb-Cl angle of 85.6° is narrower than in zirconocene dichloride (97.1°) but wider than in molybdocene dichloride (82°). This trend is consistent with the orientation of the HOMO in this class of complex.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. {{doi|10.1107/S0567740874007011}}
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.{{cite journal |author1=Mokdsi, G. |author2=Harding, M. M. | title = A1H NMR study of the Interaction of Antitumor Metallocenes with Glutathione | journal = J. Inorg. Biochem. | year = 2001 | volume = 86 | issue = 2–3 | pages = 611–616 | doi = 10.1016/S0162-0134(01)00221-5|pmid=11566334 }}
References
{{reflist}}
{{Niobium compounds}}
{{Cyclopentadienide complexes}}
Category:Organoniobium compounds