Assigning 1H chemical shifts in paramagnetic mono- and bimetallic surface sites using DFT: a case study on the Union Carbide polymerization catalyst
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DOI: 10.1039/d2sc06827c
Abstract: The Union Carbide (UC) ethylene polymerization catalyst, based on silica-supported chromocene, is one of the first industrial catalysts prepared by surface organometallic chemistry, though the structure of the surface sites remains elusive. Recently, our group… read more here.
Keywords: polymerization catalyst; surface; chemical shifts; surface sites ... See more keywords