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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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|
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