Published October 22, 2012 | Version v1
Journal article Metadata-only

Giant spin-orbit effects on NMR shifts in diamagnetic actinide complexes: guiding the search of uranium(VI) hydride complexes in the correct spectral range

Creators

  • 1. Institute of Inorganic Chemistry, Slovak Academy of Sciences, Bratislava (Slovakia)
  • 2. Technische Universitaet Berlin, Institut fuer Chemie, Theoretische Chemie (Germany)

Description

Looking in the right (NMR) ballpark: The 13C shifts of carbon atoms σ-bonded to uranium(VI) centers, and in particular the 1H shifts of UVI bound hydride ligands, are predicted to be at unprecedentedly high frequencies, as a result of unexpectedly large spin-orbit effects. Based on relativistic quantum-chemical calculations, the right spectral ranges are suggested, which may allow identification of such compounds. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Availability note (English)

Available from: http://dx.doi.org/10.1002/anie.201204634

Additional details

Identifiers

DOI
10.1002/anie.201204634;

Publishing Information

Journal Title
Angewandte Chemie (International Edition)
Journal Volume
51
Journal Issue
43
Journal Page Range
p. 10884-10888
ISSN
1433-7851
CODEN
ACIEF5

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
48046095
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Descriptors DEI
CARBON 13; CHEMICAL SHIFT; HYDRIDES; LIGANDS; L-S COUPLING; NUCLEAR MAGNETIC RESONANCE; URANIUM COMPLEXES
Descriptors DEC
ACTINIDE COMPLEXES; CARBON ISOTOPES; COMPLEXES; COUPLING; EVEN-ODD NUCLEI; HYDROGEN COMPOUNDS; INTERMEDIATE COUPLING; ISOTOPES; LIGHT NUCLEI; MAGNETIC RESONANCE; NUCLEI; RESONANCE; STABLE ISOTOPES

Optional Information

Notes
With 5 figs., 3 tabs., 54 refs.