A DFT study of the electronic properties of ansa-titanocene dichloride is reported. Molecular orbital analysis, polarizability, hyperpolarizability, thermodynamic analysis and natural bond orbital (NBO) theory are the main aim of the present research. The computed structural parameters show a good agreement with the similar experimental results. The calculated HOMO and LUMO energies show that c...

Novel synthetic approaches to chiral ethylene-bridged ansa-titanocenes possessing stereogenic centers on the bridging carbon chain are described. A key step in the preparation of these compounds is the double-Skatteberl rearrangement of bis(vinyldibromocyc1opropane) intermediates derived from 1,4-disulfones. The influence of tether substitution on the diastereoselection in ansa-titanocene forma...

The reduction of titanocene dichloride with dysprosium yields a new titanocene(ii) equivalent without the need for further stabilising ligands. This reagent can be employed in combination with dithioacetals for the olefination of different carbonyl groups and allows for a simplified all-in-one procedure.

Following the accidental discovery of cisplatin by Rosenberg and co-workers and its enormous success as chemotherapeutic agent, there has been a growing interest in the investigation of other platinum-based compounds as well as nonACHTUNGTRENNUNGplatinum metal-based systems. Among these, titanium(IV) complexes showed encouraging antitumor activity in various cell lines. Nearly all complexes inv...

Six new titanocene compounds have been isolated and characterised. These compounds were synthesised from their fulvene precursors using Super Hydride (LiBEt3H) followed by transmetallation with titanium tetrachloride to yield the corresponding titanocene dichloride derivatives. These complexes are bis-[((1-methyl-3-diethylaminomethyl)indol-2-yl)methylcyclopentadienyl] titanium (IV) dichloride (...

BACKGROUND/AIM Titanocene dichloride held great promise as a chemotherapeutic compound in pre-clinical studies. However, subsequent clinical trials revealed hepatoxicity and nephrotoxicity, which limited its use in clinical applications. Therefore, we used steroid pendant groups to improve the targeting of titanocene in MCF-7 breast cancer cells, and demonstrated a 10-fold lower effective dose ...

207 Novel olefin-linked biscylopentadienylligands have been prepared by McMurry coupling reactions of benzoyland acetyl-cyclopentadienyl sodium. Reactions of the disodium salts with TiC1 4 or TiCl 3 • 3THF afford the alkene-bridged ansa-titanocene dichlorides. 13C-NMR shifts of the bridge carbon atoms do not indicate any interaction between the olefin 'IT-system and the metal.

Titanocene and zirconocene ketene acetal derivatives have been prepared by reaction of the respective metallocene dichloride with the lithium enolate of isobutyric acid methyl ester. The crystal structure of (CsH s),Ti(CDOC(OCH 3):C(CH 3) is reported.

We systematically assessed the cytotoxic effects of five metallocene dichlorides containing vanadium (vanadocene dichloride), titanium (titanocene dichloride), zirconium (zircodocene dichloride), molybdenum (molybdocene dichloride), and hafnium (hafnocene dichloride) as the central metal atom and 19 other vanadocene complexes. These compounds were tested against the human testicular cancer cell...

A variety of substituted titanocene and ansa-titanocene complexes have been synthesized and characterized using traditional methods. The cytotoxic activity of the different titanocene complexes was tested against tumour cell lines human adenocarcinoma HeLa, human myelogenous leukemia K562, human malignant melanoma Fem-x and normal immunocompetent cells, peripheral blood mononuclear cells PBMC. ...