The binuclear homoleptic rhodium carbonyls Rh2(CO)n (n = 8, 7, 6, 5) have been examined theoretically. Three energetically low-lying equilibrium structures of Rh2(CO)8 were found, i.e., one doubly bridged C2v singlet structure and two unbridged singlet structures with D(3d) and D(2d) symmetry. The doubly bridged structure is the global minimum predicted to lie 3.4 kcal/mol below the D(2d) struc...

Title of Document: KINETICS AND MORPHOLOGY OF METALLOCENE CATALYZED SYNDIOSPECIFIC POLYMERIZATION OF STYRENE IN HOMOGENEOUS AND HETEROGENEOUS REACTION SYSTEMS Joong Jin Han, Doctor of Philosophy, 2008 Directed By: Professor Kyu Yong Choi Department of Chemical and Biomolecular Engineering Syndiotactic polystyrene (sPS) is a semicrystalline thermoplastic polymer with many advantageous properties...

A study of the full dehydrogenation of hydrazine borane (H2N-NH2·BH3) to give H2 and N2 as gaseous products catalysed by a variety of group 4 metallocene alkyne complexes of the type CpM(L)(η(2)-Me3SiC2SiMe3) (Cp' = substituted or unsubstituted η(5)-cyclopentadienyl; M = Ti, no L; M = Zr, L = pyridine) and group 4 metallocene hydrides is presented. Volumetric data show that the amount of hydrog...

Palladium-catalyzed asymmetric allylic alkylation of ketones, via enamines generated in situ as nucleophiles, were carried out smoothly with chiral metallocene-based P,N-ligands. Under the same conditions, however, reactions of aldehydes could hardly be observed. Subsequently, this obstacle was resolved by using chiral metallocene-based P,P-ligands. Both ketones and aldehydes afforded excellent...

Reaction of the PEt3 adduct of a disilylated five-membered cyclic germylene with group 4 metallocene dichlorides in the presence of magnesium led to the formation of the respective germylene metallocene phosphine complexes of titanium, zirconium, and hafnium. Attempts to react the related NHC adduct of a disilylated four-membered cyclic germylene under the same conditions with Cp2TiCl2 did not ...