期刊
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
卷 -, 期 4, 页码 611-617出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.201101188
关键词
Density functional calculations; Metallacycles; Titanium; X-ray diffraction; Zirconium
资金
- Deutsche Forschungsgemeinschaft (DFG) [RO 1269/8-1]
- Department of Science and Technology, New Delhi, India
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.
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