(Cyclopentadienyl)titanium trichloride

Names
Other names

Titanocene trichloride

Identifiers

CAS Number

* 1270-98-0 Y

3D model (JSmol)

* Interactive image

ChemSpider |

* 11601864

ECHA InfoCard | 100.156.156

PubChem CID

* 11127785

UNII |

* BPJ2QGJ6ZF Y

CompTox Dashboard (EPA)

* DTXSID50925759

InChI

* InChI=1S/C5H5.3ClH.Ti/c1-2-4-5-3-1;;;;/h1-5H;3*1H;/q;;;;+3/p-3

Key: AENCLWKVWIIOQH-UHFFFAOYSA-K

SMILES

* c1[cH-]ccc1.Cl[Ti+](Cl)Cl

Properties

Chemical formula

| C5H5Cl3Ti
Molar mass | 219.31 g·mol−1
Appearance  | orange solid
Density | 1.768 g/cm3
Melting point | 210 °C (410 °F; 483 K)

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

Infobox references

Chemical compound

(Cyclopentadienyl)titanium trichloride is an organotitanium compound with the formula (C5H5)TiCl3. It is a moisture sensitive orange solid. The compound adopts a piano stool geometry.[1]

## Preparation and reactions

[edit]

(C5H5)TiCl3 is prepared by the reaction of titanocene dichloride and titanium tetrachloride:

(C5H5)2TiCl2 \+ TiCl4 → 2 (C5H5)TiCl3

The complex is electrophilic, readily forming alkoxide complexes upon treatment with alcohols.[2]

Reduction of (cyclopentadienyl)titanium trichloride with zinc powder gives the polymeric Ti(III) derivative (cyclopentadienyl)titanium dichloride:[3]

(C5H5)TiCl3 \+ 0.5 Zn → 1/n [(C5H5)TiCl2]n \+ ZnCl2

A related reduction can be effected with cobaltocene:[4]

(C5H5)TiCl3 \+ (C5H5)2Co → [(C5H5)2Co]+[(C5H5)TiCl3]−

Other evidence for the Lewis acidity of the trichloride is the ready formation of adducts with phosphine ligands:[5]

(C5H5)TiCl3 \+ P(CH3)3 → (C5H5)TiCl3(P(CH3)3

## See also

[edit]

* (Cyclopentadienyl)zirconium trichloride
* (Pentamethylcyclopentadienyl)titanium trichloride
* (Indenyl)titanium trichloride[6]

## References

[edit]

1. ^ Rossini, A. J.; Mills, R. W.; Briscoe, G. A.; Norton, E. L.; et al. (2009). "Solid-State Chlorine NMR of Group IV Transition Metal Organometallic Complexes". Journal of the American Chemical Society. 131 (9): 3317–3330\. doi:10.1021/ja808390a. PMID 19256569.
2. ^ Andreas Hafner; Rudolf O. Duthaler (2001). "Trichloro(cyclopentadienyl)titanium". EEROS. doi:10.1002/047084289X.rt202m. ISBN 0-471-93623-5.
3. ^ Lucas, C. R.; Green, M. L. H. (2007) [1976]. "Some η-Cyclopentadienyl Complexes of Titanium(III)". Inorganic Syntheses. Vol. 16\. pp. 237–240\. doi:10.1002/9780470132470.ch62. ISBN 978-0-470-13178-7.
4. ^ Hughes, D.L.; Jimenez-Tenorio, M.; Leigh, G.J. (1989). "Synthesis of [Co(η5-C5H5)2][M(η5-C5H5)Cl3] salts (M = Ti or V): Crystal structure of [Co(η5-C5H5)2][Tc(η5-C5H5)Cl3]". Polyhedron. 8 (13–14): 1780–1781\. doi:10.1016/S0277-5387(00)80641-5.13–14&rft.pages=1780-1781&rft.date=1989&rft_id=info:doi/10.1016/S0277-5387(00)80641-5&rft.aulast=Hughes&rft.aufirst=D.L.&rft.au=Jimenez-Tenorio,+M.&rft.au=Leigh,+G.J.&rfr_id=info:sid/en.wikipedia.org:(Cyclopentadienyl)titanium+trichloride" class="Z3988">
5. ^ Nadasdi, T. Timothy; Stephan, Douglas W. (1993). "Radical Routes to Titanium(IV) Thiolate Complexes: Structure and Reactivity of ((η5\--C5H5)TiIII and -TiIV Donor and Thiolate Derivatives". Inorganic Chemistry. 32 (26): 5933–5938\. doi:10.1021/ic00078a008.
6. ^ Morris, Robert J.; Shaw, Scott L.; Jefferis, Jesse M.; Storhoff, James J.; Goedde, Dean M. (1998). "Monoindenyltrichloride Complexes of Titanium(IV), Zirconium(IV), and Hafnium(IV)". Inorganic Syntheses. Vol. 32\. pp. 215–221\. doi:10.1002/9780470132630.ch36. ISBN 978-0-471-24921-4.

* v
* t
* e

Salts and covalent derivatives of the cyclopentadienide ion

| CpH |  |  |  | He

|
|
|
|

LiCp | Be  | B  | CpMe | N  | C5H4O | F  | Ne
NaCp | MgCp2

MgCpBr

| Al  | Si  | P  | S  | Cl  | Ar
K  | CaCp2 |  | ScCp3 | TiCp2Cl2

(TiCp2Cl)2
TiCpCl3
TiCp2S5
TiCp2(CO)2
TiCp2Me2

| VCp2

VCpCh
VCp2Cl2
VCp(CO)4

| CrCp2

(CrCp(CO)3)2

| MnCp2 | FeCp2

Fe(η5-C5H4Li)2
((C5H5)Fe(C5H4))2
(C5H4-C5H4)2Fe2
FeCp2PF6
FeCp(CO)2I

| CoCp2

CoCp(CO)2

| NiCp2

NiCpNO

| CuCpPEt3 | Zn  | Ga  | Ge  | As  | Se  | Br  | Kr
Rb  | Sr  |  | Y(C5H5)3 | ZrCp2Cl2

ZrCp2ClH

| NbCp2Cl2 | MoCp2H2

MoCp2Cl2
(MoCp(CO)3)2

| Tc  | RuCp2

RuCp(PPh3)2Cl
RuCp(MeCN)3PF6

| RhCp2 | PdCp(C3H5) | Ag  | Cd  | InCp | SnCp2 | Sb  | Te  | I  | Xe
Cs  | Ba  | *  | LuCp3 | HfCp2Cl2 | Ta  | (WCp(CO)3)2 | ReCp2H | OsCp2 | IrCp2 | Pt  | Au  | Hg  | TlCp | PbCp2 | Bi  | Po  | At  | Rn
Fr  | Ra  | **  | Lr  | Rf  | Db  | Sg  | Bh  | HsCp2 | Mt  | Ds  | Rg  | Cn  | Nh  | Fl  | Mc  | Lv  | Ts  | Og

*  | LaCp3 | CeCp3
Ce(cot)2 | PrCp3 | NdCp3 | PmCp3 | SmCp3 | Eu  | Gd  | Tb  | DyCp3 | Ho  | ErCp3 | TmCp3 | YbCp3
**  | Ac  | ThCp3
ThCp4 | Pa  | UCp4 | Np  | Pu  | Am  | Cm  | Bk  | Cf  | Es  | Fm  | Md  | No
*[CID]: Compound ID
*[EPA]: U.S. Environmental Protection Agency
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