(Cycloheptatrienyl)(cyclopentadienyl)titanium

(Cycloheptatrienyl)(cyclopentadienyl)titanium
Names
	Other names troticene
Identifiers
CAS Number	51203-49-7;
3D model (JSmol)	Interactive image;
ChemSpider	10157216;
PubChem CID	132274853;
	InChI InChI=1S/C7H7.C5H5.Ti/c1-2-4-6-7-5-3-1;1-2-4-5-3-1;/h1-7H;1-5H;/q2*-1;+2 Key: JDNUFMVXAYMRAZ-UHFFFAOYSA-N;
	SMILES [CH-]1C=CC=C1.[CH-]1C=CC=CC=C1.[Ti+2];
Properties
Chemical formula	C12H12Ti
Molar mass	204.095 g·mol−1
Appearance	blue solid
Density	1.40 g/cm3
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

(Cycloheptatrienyl)(cyclopentadienyl)titanium is an organotitanium compound with the formula Ti(C₇H₇)(C₅H₅). It is a blue, diamagnetic, sublimable solid that is sensitive toward air. The structure has been confirmed by X-ray crystallography.^[1] This sandwich complex features cyclopentadienyl and cycloheptatrienyl ligands bound to titanium. The Ti-C distances are all within a narrow range near 2.35 Å.

The complex can be prepared by the reaction of titanocene dichloride, butyllithium, and cycloheptatriene.^[2]

References

^ Zeinstra, J.D.; De Boer, J.L. (1973). "Structure of Cyclopentadienylcycloheptatrienyl-titanium". Journal of Organometallic Chemistry. 54: 207–211. doi:10.1016/S0022-328X(00)85010-X.
^ Camargo, Luana C.; Briganti, Matteo; Santana, Francielli S.; Stinghen, Danilo; Ribeiro, Ronny R.; Nunes, Giovana G.; Soares, Jaísa F.; Salvadori, Enrico; Chiesa, Mario; Benci, Stefano; Torre, Renato; Sorace, Lorenzo; Totti, Federico; Sessoli, Roberta (2021). "Exploring the Organometallic Route to Molecular Spin Qubits: The [Cp Ti(cot)] Case". Angewandte Chemie International Edition. 60 (5): 2588–2593. doi:10.1002/anie.202009634. hdl:2318/1765157. PMID 33051985. S2CID 222351619.

[1] Zeinstra, J.D.; De Boer, J.L. (1973). "Structure of Cyclopentadienylcycloheptatrienyl-titanium". Journal of Organometallic Chemistry. 54: 207–211. doi:10.1016/S0022-328X(00)85010-X.

[2] Camargo, Luana C.; Briganti, Matteo; Santana, Francielli S.; Stinghen, Danilo; Ribeiro, Ronny R.; Nunes, Giovana G.; Soares, Jaísa F.; Salvadori, Enrico; Chiesa, Mario; Benci, Stefano; Torre, Renato; Sorace, Lorenzo; Totti, Federico; Sessoli, Roberta (2021). "Exploring the Organometallic Route to Molecular Spin Qubits: The [Cp Ti(cot)] Case". Angewandte Chemie International Edition. 60 (5): 2588–2593. doi:10.1002/anie.202009634. hdl:2318/1765157. PMID 33051985. S2CID 222351619.

[1]

[2]

See also

References