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Journal articles
Conformationally dynamic titanium and zirconium cationic complexes of bis(naphthoxy)pyridine ligands: structure, "oscillation" and olefin polymerization catalysis
Abstract : Discrete ionic complexes {ONO}M(CHPh)((η-Ph)CHB(CF)) (M = Ti, 2-Ti; Zr, 2-Zr) have been prepared from the parent neutral dibenzyl precursors and B(CF). Also, a neutral dichloro complex {ONO}ZrCl(MeNH) (3) was synthesized by the reaction of a proligand {ONO}H (1-H2) with (MeN)ZrCl(DME). The compounds were characterized by NMR spectroscopy and X-ray crystallography (for 2-Zr and 3). In the solid state, both 2-Zr and 3 feature meso-like binding of the ligand. VT NMR studies of 2-Ti and 2-Zr revealed that the former species dissociates in solution to form an outer-sphere ion pair (OSIP) that features a complicated dynamic behavior, while the latter compound retains an inner-sphere ion pair (ISIP) structure that interconverts between C-symmetric (meso-like) and C-symmetric (rac-like) conformations. The mechanism of this interconversion was assessed by DFT calculations and the corresponding barrier for the straightforward interconversion was calculated ().
Cited literature [9 references]
https://hal-univ-rennes1.archives-ouvertes.fr/hal-01501258
Contributor : Laurent Jonchère Connect in order to contact the contributor
Submitted on : Monday, July 10, 2017 - 1:54:28 PM
Last modification on : Friday, January 7, 2022 - 3:49:58 AM
Long-term archiving on: : Wednesday, January 24, 2018 - 10:48:09 PM
Contributor : Laurent Jonchère Connect in order to contact the contributor
Submitted on : Monday, July 10, 2017 - 1:54:28 PM
Last modification on : Friday, January 7, 2022 - 3:49:58 AM
Long-term archiving on: : Wednesday, January 24, 2018 - 10:48:09 PM