Kaleta, Katharina ; Ruhmann, Martin ; Theilmann, Oliver ; Roy, Subhendu ; Beweries, Torsten ; Arndt, Perdita ; Villinger, Alexander ; Jemmis, Eluvathingal D. ; Schulz, Axel ; 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 European Journal of Inorganic Chemistry, 2012 (4). pp. 611-617. ISSN 1434-1948
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/ejic.20...
Related URL: http://dx.doi.org/10.1002/ejic.201101188
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)(η2-Me3SiC2SiMe3)] (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 σ-complex with cyclic delocalisation of the ring electrons. Moreover, pseudo-Jahn-Teller distortion plays a significant role in stabilising this complex.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons. |
| Keywords: | Density Functional Calculations; Metallacycles; Titanium; X-ray Diffraction; Zirconium |
| ID Code: | 82719 |
| Deposited On: | 14 Feb 2012 11:48 |
| Last Modified: | 14 Feb 2012 11:48 |
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