Mikko Linnolahti

1 month ago | pubs.rsc.org | Luca Rocchigiani |Scott Collins |J. Scott McIndoe |Mikko Linnolahti

Comparison of PGSE NMR and ESI-MS Measurements on Methylaluminoxane PGSE NMR and ESI-MS studies of different grades of hydrolytic MAO demonstrate that the average dimensions and anion distribution of MAO are correlated with one another, as revealed through studies of aging and gelation of a commercial formulation of MAO.

Dec 23, 2024 | pubs.rsc.org | Mikko Linnolahti

A Cooperative Model for Metallocene Catalyst Activation by Methylaluminoxane Activation of rac-Me2Si(η5-Ind)2ZrMe2 (SBIZrMe2) and sheet models for MAO, (MeAlO)6(Me3Al)4 (6,4), (MeAlO)7(Me3Al)5 (7,5), and (MeAlO)26(Me3Al)9 (26,9) has been studied by DFT. These activators can reversibly form an outer-sphere ion-pair (OSIP) [SBIZrMe2AlMe2] [(MeAlO)n(Me3Al)mMe] 3 ([n,m]− = [7,4]−and [26,8]−) or a contact ion-pair (CIP) SBIZrMe-μ-Me-6,4 (2b)from SBIZrMe2.

Mar 12, 2024 | chemistry-europe.onlinelibrary.wiley.com | Scott Collins |Mikko Linnolahti

Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors.

Jun 14, 2023 | chemistry-europe.onlinelibrary.wiley.com | Scott Collins |Mikko Linnolahti

Conclusions DFT and higher-level approximate MP2 or CCSD(T) calculations confirm that sheets are much more stable than cages in the size range expected for hydrolytic MAO. It is still an open question as to whether larger cages may be more stable than sheets of comparable size and future computational efforts are directed towards this question, realizing now that M06-2X level calculations will not resolve this.