Theoretical studies of π-loading and structural diversity in Cp 3MX (M = Zr, Hf; X = H, CH3, OR, NR2) compounds

Polyhedron

Volumn 25, Issue 2, 2006, Pages 575-584

  Palmer, Erick J ^a   Bursten, Bruce E ^a  

^a OHIO STATE UNIVERSITY   (United States)

Author keywords

Alkoxide and amido complexes; Density functional theory; Molecular orbital theory; Organometallics; tris Cyclopentadienyl; donation

Indexed keywords

CHEMICAL BONDS; GROUND STATE; HAFNIUM COMPOUNDS; ISOMERS; LIGANDS; MOLECULAR ORBITALS; ORGANOMETALLICS; PLANTS (BOTANY); ZIRCONIUM COMPOUNDS;

ALKOXIDE COMPLEXES; AMIDO COMPLEXES; CP* LIGAND; CYCLOPENTADIENYLS; DENSITY-FUNCTIONAL-THEORY; DONOR ABILITY; LONE PAIR; MOLECULAR ORBITAL THEORY; TRIS-CYCLOPENTADIENYL; Π-DONATION;

DENSITY FUNCTIONAL THEORY;

EID: 30144431754     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2005.07.033     Document Type: Article

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