Is Allred's [Hg(cyclam)]3+ a True Mercury(III) 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 Mercury(III) Complex?
Verfasser
Peter Hrobárik, Martin Kaupp, Sebastian Riedel
Datum
2008
Erschienen in
Angew. Chem. Int. Ed. 2008, 47, 45, 8631 - 8633
Angew. Chem. 2008, 120, 45, 8759 - 8761
Zitierweise
DOI: 10.1002/anie.200802233
DOI: 10.1002/ange.200802233
Sprache
eng