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Monomeric, Mononuclear Enediolate Complexes of Zirconium: Molecular Geometry and Electronic Structure of the Products of Reductive CO Coupling on the Metal
Author(s) -
Hofmann Peter,
Frede Martin,
Stauffert Peter,
Lasser Wiltraud,
Thewalt Ulf
Publication year - 1985
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.198507121
Subject(s) - steric effects , zirconium , monomer , planar , ring (chemistry) , crystallography , chemistry , transition metal , coupling (piping) , metal , chelation , coordination geometry , electronic structure , computational chemistry , materials science , geometry , inorganic chemistry , stereochemistry , molecule , metallurgy , organic chemistry , mathematics , catalysis , computer science , computer graphics (images) , polymer , hydrogen bond
A transition from σ 2 , π to σ 2 coordination occurs in going from R Me to R tBu in the zirconium complexes 1, Cp * = C 5 Me 5 . The chelate ring is folded in the first case and planar, for steric reasons, in the second. This observation is in accord with the predictions of MO theory.