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A five-coordinate manganese(iii) complex of a salen type ligand with a positive axial anisotropy parameter DElectronic supplementary information (ESI) available: Structures of 1 and of the small model compound 1model (Fig. S1), UV-vis spectrum of 1 (Fig. S2), UV-vis-NIR spectra recorded upon oxidation/reduction (Fig. S3 and S4), cyclic voltammograms of 1 and digital simulations (Fig. S5), temperature dependence of the χ′M (right) and χ′′M (left) of 1 in a dc applied static field of 0.0 kG (a), 1.0 kG (b) and 2.5 kG (c) and under ±4.0 G oscillating field at frequencies of 10 (blue), 100 (red) and 1000 Hz (black) (Fig. S6), HFEPR spectra of 1 (Fig. S7-S9), DFT spin density of 1 (Fig. S10), frontier DFT molecular orbitals of 1 (Fig. S11); a plot of D vs. the shortest equatorial ClMnCl angle in [MnCl5]2− (Fig. S12); table of bond lengths and angles for 1 obtained by X-ray experiments and by DFT optimisation (Table S1), calculated ZFS parameters of 1model (Table S2), DFT calculated spin squares (〈S2〉), DFT energies (EDFT), free energies at 298 K (G298) (Table S3), NBO parameters of 1 in various spin states (Table S4), and calculated electron transitions for 1 in methanol (Table S5). CCDC 1515780. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c7dt01809f
Online Contents | 2017| -
An iron(iii)-centred ferric wheel Fe⊂{Fe6} with a siloxane-based bis-salicylidene Schiff base
Online Contents | 2017| -
Electrically Driven Artificial Muscles Using Novel Polysiloxane Elastomers Modified with Nitroaniline Push–Pull Moieties
American Chemical Society | 2020| -
Tetranuclear [Cu–Ln]2 single molecule magnets: synthesis, structural and magnetic studies
National licenceRoyal Society of Chemistry | 2008| -
Triarylphosphanes with 2-(Et2NCH2)C6H4 groups. Copper(I) complexes and oxidation derivatives of type EP(C6H4CH2NEt2-2)nPh3-n (E=S, Se; n=1, 2)
British Library Online Contents | 2018| -
Triarylphosphanes with 2-(Et2NCH2)C6H4 groups. Copper(I) complexes and oxidation derivatives of type EP(C6H4CH2NEt2-2)nPh3-n (E=S, Se; n=1,2)
British Library Online Contents | 2018| -
Verdazyl Radical, a Building Block for a Six-Spin-Center 2p–3d–4f Single-Molecule Magnet
American Chemical Society | 2016| -
Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)
Free accessIUCr | 2021|
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