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Magnetic anisotropy of a CoII single ion magnet with distorted trigonal prismatic coordination: theory and experiment

Peng, Yan; Bodenstein, Tilmann; Fink, Karin; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.

Abstract (englisch):
The single ion magnetic properties of Co(II) are affected by the details of the coordination geometry of the ion. Here we show that a geometry close to trigonal prismatic which arises when the ligand 6,6′-((1Z)-((piperazine-1,4-diylbis(propane-3,1-diyl))bis(azanylylidene))bis(methanylylidene))bis(2-methoxyphenol) coordinates to Co(II) does indeed lead to enhanced single-ion behaviour as has previously been predicted. Synthesis of the compound, structural information, and static as well as dynamic magnetic data are presented along with an analysis using quantum chemical ab initio calculations. Though the complex shows a slight deviation from an ideal trigonal prismatic coordination, the zero-field splitting as well as the g-tensor are strongly axial with D = −41 cm−1 and E < 0.01 cm−1. For the lowest Kramers doublet (S = 1/2) g∥ = 7.86 and g⊥ < 0.05 were found. In contrast, the second Kramers doublet possesses a rhombic g-tensor with g∥ = 2.75 and g⊥ = 4.35. Due to large spin–orbit coupling resulting in very different g tensors, it is not possible to simulate the temperature dependence of the magnetic susceptibility with a spin ... mehr

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Volltext §
DOI: 10.5445/IR/1000063073
DOI: 10.1039/C6CP03157A
Zitationen: 22
Web of Science
Zitationen: 21
Zugehörige Institution(en) am KIT Institut für Anorganische Chemie (AOC)
Institut für Nanotechnologie (INT)
Publikationstyp Zeitschriftenaufsatz
Jahr 2016
Sprache Englisch
Identifikator ISSN: 1463-9076, 1463-9084
KITopen-ID: 1000063073
HGF-Programm 43.21.04 (POF III, LK 01)
Erschienen in Physical chemistry, chemical physics
Band 18
Heft 43
Seiten 30135–30143
Nachgewiesen in Scopus
Web of Science
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