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On the Mechanism of the McMurry Reaction
Author(s) -
Stahl Martin,
Pidun Ulrich,
Frenking Gernot
Publication year - 1997
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.199722341
Subject(s) - intramolecular force , intermolecular force , mechanism (biology) , nucleophile , density functional theory , reaction mechanism , computational chemistry , chemistry , coupling reaction , quantum chemical , coupling (piping) , photochemistry , molecule , stereochemistry , materials science , physics , organic chemistry , catalysis , quantum mechanics , metallurgy
A nucleophilic rather than a radical mechanism was recently proposed for the McMurry reaction. Quantum chemical density functional calculations support this hypothesis. An intramolecular and an intermolecular pathway for the CC coupling step are discussed, and the pinacolate complexes 1 and 2 are identified as central intermediates.