ePrints@IIScePrints@IISc Home | About | Browse | Latest Additions | Advanced Search | Contact | Help

Experimental and Theoretical Studies of Unusual Four-Membered Metallacycles from Reactions of Group 4 Metallocene Bis(trimethylsilyl)-acetylene Complexes with the Sulfurdiimide Me3SiN=S=NSiMe3

Kaleta, Katharina and Ruhmann, Martin and Theilmann, Oliver and Roy, Subhendu and Beweries, Torsten and Arndt, Perdita and Villinger, Alexander and Jemmis, Eluvathingal D and Schulz, Axel and Rosenthal, Uwe (2012) Experimental and Theoretical Studies of Unusual Four-Membered Metallacycles from Reactions of Group 4 Metallocene Bis(trimethylsilyl)-acetylene Complexes with the Sulfurdiimide Me3SiN=S=NSiMe3. In: European Journal of Inorganic Chemistry (4). pp. 611-617.

[img] PDF
Experimental.pdf - Published Version
Restricted to Registered users only

Download (475Kb) | Request a copy
Official URL: http://onlinelibrary.wiley.com/doi/10.1002/ejic.20...

Abstract

The use of the sulfurdiimide RN=S=NR' (R = R' = SiMe3, 3) in reactions with group 4 metallocene bis(trimethylsilyl)-acetylene complexes of the type [Cp2M(L (eta(2)-Me3Si-C2SiMe3)] (1: M = Ti, no L; 2: M = Zr, L = pyridine) has led to the formation of four-membered metallacycles 4M containing the group 4 metal, nitrogen and sulfur. DFT calculations performed on compound 4Ti indicate that this complex is best described as a sigma-complex with cyclic delocalisation of the ring electrons. Moreover, pseudo-Jahn-Teller distortion plays a significant role in stabilising this complex.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to John Wiley and Sons.
Keywords: Density functional calculations;Metallacycles;Titanium;X-ray diffraction;Zirconium
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 13 Apr 2012 09:09
Last Modified: 13 Apr 2012 09:09
URI: http://eprints.iisc.ernet.in/id/eprint/44270

Actions (login required)

View Item View Item