title: A joint experimental/theoretical investigation of the MMA polymerization initiated by yttrium phenoxyamine complexes.
abstract: A joint experimental/theoretical study has been carried out on the putative MMA polymerization catalyzed by an yttrium isopropyloxide complex. Despite its high activity in lactone polymerization, this catalyst is found to be unreactive on methyl methacrylate (MMA) polymerization. This surprising result is rationalized using a computational approach at the DFT level. Indeed, the endothermicity of the initiation step explains this lack of reactivity. The theoretical proposal of yttrium amido complexes as catalysts allows overcoming this initiation problem.
authors: College of Chemistry and Chemical Engineering, Lanzhou University, Lanzhou 730000, China. fangj@lzu.edu.cn
authors: Jian
authors: J
authors: Fang
authors: Mathieu J-L
authors: MJ
authors: Tschan
authors: E
authors: E
authors: Brulé
authors: Carine
authors: C
authors: Robert
authors: Christophe M
authors: CM
authors: Thomas
authors: Laurent
authors: L
authors: Maron
mesh_terms: D000588:Amines / Q000737:chemistry*; D015394:Molecular Structure; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D058105:Polymerization; D019904:Polymethyl Methacrylate / Q000138:chemical synthesis* / Q000737:chemistry; D011789:Quantum Theory; D015019:Yttrium / Q000737:chemistry*
chemical_list: D000588:Amines; D009942:Organometallic Compounds; D015019:Yttrium; D019904:Polymethyl Methacrylate