Manz, Thomas A. published the artcileThe nature of aryloxide and arylsulfide ligand bonding in dimethyltitanium complexes containing cyclopentadienyl ligation, Related Products of catalysis-chemistry, the publication is Dalton Transactions (2005), 668-674, database is CAplus and MEDLINE.
A series of dimethyltitanium compounds [CpTi(EAr)Me2] (E = O, S) ligated by one ¦Ç5-cyclopentadienyl (Cp) and one aryloxide (OAr) or aryl sulfide (SAr) were prepared and structurally characterized. Reaction of [CpTiCl3] with LiSAr afforded [CpTi(SAr)Cl2], which was methylated to give [CpTi(SAr)Me2] (1, 2; Ar = 2,4,6-Me3C6H2, 2,4,6-iPr3C6H2). The same complexes 1 and 2 were formed by protonolysis of CpTiMe3 by HSAr. Crystal structures of 1 and 2 are reported; the structures are compared with known structures of the aryloxy-complexes. Exptl. structures were compared to those predicted by d. functional theory (DFT). Bonding in the aryl sulfide systems was found to be significantly different from bonding in the aryloxide systems. The aryloxide ligands exhibited wide Ti-O-Ar angles (¡Ý150¡ã) with the Ar group oriented proximal to the Cp group. DFT computations revealed two conformers for the aryl sulfide systems. Aryl sulfides with the Ar group proximal to the Cp group had a predicted Ti-S-Ar angle of ?120¡ã while those with the Ar group distal to the Cp group had a measured and predicted Ti-S-Ar angle of ?100¡ã. Mol. and natural bond orbital (NBO) analyses were employed to explain the nature of ligand bonding in these systems.
Dalton Transactions published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C15H24S, Related Products of catalysis-chemistry.
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Catalysis – Wikipedia