Are Methylaluminoxane Activators Sheets?
| dc.contributor.author | Collins, Scott | |
| dc.contributor.author | Hasan, Galib | |
| dc.contributor.author | Joshi, Anuj | |
| dc.contributor.author | McIndoe, J. Scott | |
| dc.contributor.author | Linnolahti, Mikko | |
| dc.date.accessioned | 2021-08-05T20:54:01Z | |
| dc.date.available | 2021-08-05T20:54:01Z | |
| dc.date.copyright | 2021 | en_US |
| dc.date.issued | 2021 | |
| dc.description.abstract | Density functional theory calculations on neutral sheet models for methylaluminoxane (MAO) indicate that these structures, containing 5-coordinate and 4-coordinate Al, are likely precursors to ion-pairs seen during the hydrolysis of trimethylaluminum (Me3Al) in the presence of donors such as octamethyltrisiloxane (OMTS). Ionization by both methide ([Me]−) and [Me2Al]+ abstraction, involving this donor, were studied by polarizable continuum model calculations in fluorobenzene (PhF) and o-difluorobenzene (DFB) media. These studies suggest that low MW, 5-coordinate sheets ionize by [Me2Al]+ abstraction, while [Me]− abstraction from Me3Al-OMTS is the likely process for higher MW 4-coordinate sheets. Further, comparison of anion stabilities per mole of aluminoxane repeat unit (MeAlO)n, suggest that anions such as [(MeAlO)7(Me3Al)4Me]−=[7,4]− are especially stable compared to higher homologues, even though their neutral precursors are unstable. | en_US |
| dc.description.reviewstatus | Reviewed | en_US |
| dc.description.scholarlevel | Faculty | en_US |
| dc.description.sponsorship | J.S.M. thanks NSERC (Strategic Project Grant #478998-15) and NOVA Chemicals’ Centre for Applied Research for operational funding and CFI, BCKDF, and the University of Victoria for infrastructural support. | en_US |
| dc.identifier.citation | Collins, S., Hasan, G., Joshi, A., McIndoe, J. S., & Linnolahti, M. (2021). Are Methylaluminoxane Activators Sheets? ChemPhysChem, 22(13), 1326-1335. https://doi.org/10.1002/cphc.202100268. | en_US |
| dc.identifier.uri | https://doi.org/10.1002/cphc.202100268 | |
| dc.identifier.uri | http://hdl.handle.net/1828/13205 | |
| dc.language.iso | en | en_US |
| dc.publisher | ChemPhysChem | en_US |
| dc.subject | methylaluminoxane | |
| dc.subject | ionization | |
| dc.subject | ESI-MS | |
| dc.subject | anionization | |
| dc.subject | sheets | |
| dc.subject | UVic Genome BC Proteomics Centre | |
| dc.subject.department | Department of Chemistry | |
| dc.title | Are Methylaluminoxane Activators Sheets? | en_US |
| dc.type | Article | en_US |