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.

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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
Publication:	European Journal of Inorganic Chemistry
Publisher:	John Wiley and Sons
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.ac.in/id/eprint/44270

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