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Is Allred's [Hg(cyclam)]³⁺ a True MercuryIII Complex?

Peter Hrobárik, Martin Kaupp, Sebastian Riedel – 2008

Relativistic density functional calculations are used to examine the spectroscopic parameters of [Hg(cyclam)]³⁺ (cyclam=1,4,8,11‐tetraazacyclotetradecane), which is thought to contain Hg³⁺, and to analyze its electronic structure. Although the computed EPR parameters and excitation energies are consistent with the experimental data, a detailed analysis of the electronic structure contradicts the assignment as an Hgᴵᴵᴵ complex.

Titel
Is Allred's [Hg(cyclam)]³⁺ a True MercuryIII Complex?
Verfasser
Peter Hrobárik, Martin Kaupp, Sebastian Riedel
Datum
2008
Erschienen in
Angew. Chem. 2008, 120, 8759 - 8761; Angew. Chem. Int. Ed. 2008, 47, 8631 - 8633.
Zitierweise
DOI: 10.1002/ange.200802233; 10.1002/anie.200802233 (Int. Ed.)
Sprache
eng
Art
Text