117527-01-2Relevant academic research and scientific papers
Electron-deficient (pentamethylcyclopentadienyl)titanium trialkyls: Evidence of Ti?H-C and Ti?C-C interactions. Crystal and molecular structure of μ-[o-(CH2)2C6H4]{(η 5-C5Me5)Ti[o-(CH2)2C 6H4]}2
Mena, Miguel,Royo, Pascual,Serrano, Ricardo,Pellinghelli, Maria Angela,Tiripicchio, Antonio
, p. 476 - 482 (2008/10/08)
(η5-C5Me5)TiCl3 (1) reacts with 3 equiv of lithium or Grignard reagents to form (η5-C5Me5)TiR3 (R = Me, CH2Ph, CH2SiMe3, and C6F5) and with 2 equiv to give (η5-C5Me5)TiClR2 (R = Me, CH2Ph, and CH2SiMe3). If 1 is reacted with [o-(CH2)2C6H4]Mg(THF)2 in a 2:3 molar ratio, μ-[o-(CH2)2C6H4]{(η 5-C5Me5)Ti[o-(CH2)2C 6H4]}2 is obtained; its structure has been fully elucidated by X-ray diffraction methods. Crystals are monoclinic of space group P21/a with Z = 4 in a unit cell of dimensions a = 11.207 (1) A?, b = 34.520 (6) A?, c = 10.460 (1) A?, and β = 113.83 (1)°. The structure has been solved from diffractometer data by Patterson and Fourier methods and refined by blocked-matrix least squares to R = 0.0694 and Rw = 0.0743 for 2096 observed reflections. Of the three o-xylylene groups two act as chelating ligands to the Ti atoms, while the third one acts as a bridge between the two metals. An interaction between the Ti atoms and the C ring atoms of the chelating o-xylylene groups is evident. This situation is compared with that of (η5-C5Me5)Ti(CH2Ph)3, where an agostic interaction has been proposed.
