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Insight into the Reaction Mechanisms of (MeC 5 H 4 ) 3 U with Isoelectronic Heteroallenes CS 2 , COS, PhN 3 , and PhNCO by DFT Studies: A Unique Pathway that Involves Bimetallic Complexes
Author(s) -
Castro Ludovic,
Maron Laurent
Publication year - 2012
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201103754
Subject(s) - bimetallic strip , uranium , chemistry , adduct , reaction mechanism , crystallography , inorganic chemistry , metal , materials science , catalysis , metallurgy , organic chemistry
The mechanisms of the reduction of four isoelectronic heteroallenes (CS 2 , COS, PhN 3 , and PhNCO) by trivalent uranium complex (MeC 5 H 4 ) 3 U were determined by using DFT methods. The experimental formation of either the bimetallic CS 2 and the PhNCO uranium(IV) adducts or the bimetallic sulfide complex (COS) and the monometallic uranium(V) phenylimide complex (PhN 3 ) were rationalized. The formation of the products was explained by a unique reaction mechanism with a uranium(IV)‐bridged heteroallene intermediate.