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Are 5f Electrons Really Active in Organoactinide Reactivity? Some Insights from DFT Studies
Author(s) -
Castro Ludovic,
Yahia Ahmed,
Maron Laurent
Publication year - 2010
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200901035
Subject(s) - reactivity (psychology) , electron , chemistry , ethylene , actinide , computational chemistry , organic chemistry , physics , nuclear physics , inorganic chemistry , medicine , catalysis , alternative medicine , pathology
Rare birds: CH activation of methane and ethylene insertion with different actinide‐containing complexes (see picture for an example) are presented. Based on the calculations of the reaction energy pathways, it is shown that the 5f electrons are not really active in the reactivity of organoactinide complexes.