Critical analysis of the limitations of Bleaney's theory of magnetic anisotropy in paramagnetic lanthanide coordination complexes† †Electronic supplementary information (ESI) available: Synthesis and characterisation of selected complexes, NMR spectral figures, tables of shift (including T dependence) and relaxation rate data at 5 magnetic field strengths. The X-ray structure of [Tm.gDOTA(H2O)]is available. CCDC 1032378. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03429e
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چکیده
The origins of the breakdown of Bleaney's theory of magnetic anisotropy are described, based on an analysis of eleven different complexes of the second half of the 4f elements that form isostructural series. An examination of the chemical shift and relaxation rate behaviour of resonances located at least four bonds away from the paramagnetic centre was undertaken, and correlated to theoretical predictions. The key limitations relate to comparability of ligand field splitting with spin–orbit coupling, variation in the position of the principal magnetic axis between Ln complexes and the importance of multipolar terms in describing lanthanide ligand field interactions.
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Department of Chemistry, Texas A & M Un E-mail: [email protected] Department of Chemistry, Tamkang Univer † Electronic supplementary informati spectroscopic, additional electrochemic crystallographic data (CIF) from the s [Ni2–Fe2] , [Ni2–Fe] , and computation crystallographic data for the complexes [ deposited in the Cambridge Crystallog (CCDC 1045461), [Ni2–Fe2] 2+ (CCDC 104 For ESI and ...
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عنوان ژورنال:
دوره 6 شماره
صفحات -
تاریخ انتشار 2015