Ethylene polymerization catalyzed by a cyclophane-diimine-based Ni(II) complex, a quantum/molecular mechanic study

3D Cyclophane for the Selective Conversion of Epoxide to Cyclic Carbonate

“…Organocatalysis is widely accepted as a popular field of catalysis where the organic compounds based on carbon, hydrogen, nitrogen, oxygen, sulfur, and phosphorus are used as catalysts for organic transformations. , Many organocatalysts have been designed to perform organic synthesis, including the asymmetric synthesis. , Cyclophane is an important class of supramolecular compounds containing a bridged aromatic ring. In general, any aromatic ring bridged by at least one aliphatic n-membered bridge with n ≥ 0 is termed a cyclophane. − Cyclophanes with a heterocyclic ring system possess a favorable binding site for host–guest chemistry, catalysis, − and self-assembly. , Imidazolium and benzimidazolium-containing cyclophanes have been applied in host–guest chemistry. − 3D cyclophanes containing benzimidazolium moiety have been reported before as anion receptors , and carrier vehicles for anticancer drug delivery . Herein, we report a novel cyclophane based on a benzimidazolium moiety.…”

First Principles Prediction of the Copolymerization Process of 1,3-Butadiene and Vinyl Chloride

“…That being said, in most cases to date the extent of that insight has been qualitative. These qualitative results include: the geometry of the transition state (TS) [4,5], which reaction mechanisms are most likely [6,7], and whether penultimate effects are negligible [8]. Only a hand full of polymer studies has reported quantitatively accurate results [9].…”

Recent advances in the homogeneous polymerisation of olefins mediated by nickel complexes

“…Historically, tight patent control over many of the Ti and Zr systems spurned significant research and development and this has resulted in the introduction of a wide variety of non-metallocene systems [14] that impart similar activities in monomer activation. In 1995, Brookhart and co-workers disclosed [15,16] that late transition metal complexes of a-diimines, specifically that of Pd and Ni, could act as highly active catalysts for the polymerisation of olefins such as ethylene [15][16][17][18][19][20][21][22][23][24][25]. This area has expanded in recent years into a variety of homo-and copolymerisation processes which have been the subject of several recent reviews [14,16,18,19,21,22].…”