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Correlation between 51 V NMR Chemical Shift and Reactivity of Oxovanadium( V ) Catalysts for Ethylene Polymerization
Author(s) -
Bühl Michael
Publication year - 1998
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/(sici)1521-3773(19980202)37:1/2<142::aid-anie142>3.0.co;2-c
Subject(s) - ethylene , polymerization , catalysis , reactivity (psychology) , chemistry , nuclear magnetic resonance spectroscopy , polymer chemistry , materials science , organic chemistry , polymer , medicine , alternative medicine , pathology
According to density functional calculations for the model system [V(O⋅⋅⋅X)Me 3 ] , δ ( 51 V) should correlate with the barrier Δ E a for ethylene insertion, the key step in polymerization (see plot on the right). Thus it should be possible to use 51 V NMR spectroscopy to “screen” suitable cocatalysts X for the known precatalyst [VO(CH 2 SiMe 3 ) 3 ].