期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 16, 期 31, 页码 9623-9629出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201001471
关键词
actinides; computational chemistry; covalency; lanthanides; N-heterocyclic carbenes
资金
- UK EPSRC
- Sasol Technology UK
- University of Edinburgh
- Engineering and Physical Sciences Research Council [GR/S63458/01] Funding Source: researchfish
Oxidative halogenation with trityl chloride provides convenient access to Ce-IV and U-IV chloroamides [M(N{SiMe3}(2))(3)Cl] and their N-heterocyclic carbene derivatives, [M(L)(N-{SiMe3}(2))(2)Cl] (L= OCMe2CH2(CNCH2-CH(2)NDipp) Dipp=2,6-iPr(2)C(6)H(3)). Computational analysis of the bonding in these and a fluoro analogue, [U(L)(N{SiMe3}(2))(2)F], provides new information on the covalency in this relative rare oxidation state for molecular cerium complexes. Computational studies reveal increased Mayer bond orders in the actinide carbene bond compared with the lanthanide carbene bond, and natural and atoms-in-molecules analyses suggest greater overall ionicity in the cerium complexes than in the uranium analogues.
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