A unique coplanar multi-center bonding network in doubly acetylide-bridged binuclear zirconocene complexes: A density functional theory study

Journal of Organometallic Chemistry

Volumn 692, Issue 21, 2007, Pages 4760-4767

  Niu, Shuqiang ^a   Derecskei Kovacs, Agnes ^b   Hall, Michael B ^b  

^a GEORGETOWN UNIVERSITY   (United States)

^b TEXAS A AND M UNIVERSITY   (United States)

Author keywords

Alkynyl migration mechanism; C C coupling; Coplanar multi center bonding; Density functional theory; Isomerization transition state

Indexed keywords

CHEMICAL BONDS; COMPLEXATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; REACTION KINETICS;

ALKYNYL MIGRATION MECHANISM; COPLANAR MULTI-CENTER BONDING; ISOMERIZATION TRANSITION STATE;

ORGANOMETALLICS;

EID: 34548541710     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2007.07.019     Document Type: Article

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