ISSN:
1572-9028
Keywords:
density functional theory
;
olefin polymerization
;
migratory insertion
;
olefin complexation
;
β-hydrogen elimination
;
β-hydrogen transfer
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract We present a generalized view of d0and d0f n metal complexes as olefin polymerization catalysts from computational studies of the {L}M–C2H5 (0,+,2+)-fragments (M = Sc(III), Y(III), La(III), Lu(III), Ti(IV), Zr(IV), Hf(IV), Ce(IV), Th(IV) and V(V); L = NH–(CH)2–NH2- {1}, N(BH2)–(CH)2–(BH2)N2- {2}, O–(CH)3–O- {3}, Cp2 2- {4}, NH–Si(H2)–C5H4 2- {5}, {(oxo)(O–(CH)3–O)}3- {6}, (NH2)2 2- {7}, (OH)2 2- {8}, (CH3)2 2- {9}, NH–(CH2)3–NH2- {10} and O–(CH2)3–O2- {11}).
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1019176119849
Permalink