Unbiased evaluation of zero-field splitting D parameter in high-spin molecules from DC magnetic data with incomplete powder averaging

High-field EPR of copper(ii)–nitroxide compound exhibiting three-step phase transition: structural insights from the field-induced sample orientation

“…This effect of self-orientation of polycrystalline samples in a strong magnetic field has been reported in other studies as well. 12,43–51 As discussed earlier, the resonances observed in the 21–24 T field range correspond to the one-spin Cu 2+ ion, while the resonances in the 25–26 T field range are associated with the three-spin nitroxide–Cu 2+ –nitroxide clusters. The broad signals and sharp peaks in the spectrum are attributed to the disordered and aligned fractions, respectively (Fig.…”

Engineering Chemisorption of Fe4 Single‐Molecule Magnets on Gold

“…[57,58] In this step, careful control over temperature and reaction time is crucial to achieving high conversions while minimizing the formation of monoor di-O-acetylated by products. Compounds Fe 4 C 3 SAc, [59,60] Fe 4 C 4 SAc, and Fe 4 C 5 SAc [10] were then synthesized by reacting [Fe 4 (OMe) 6 (dpm) 6 ] [61] with an excess (2.8-3.1 equivalents) of the appropriate tripodal proligand in Et 2 O. Although the solubility of the proligands in Et 2 O gradually decreases with decreasing spacer's length, the reaction proceeds smoothly with all proligands used.…”

S-Functionalized Tripods with Monomethylene Spacers: Routes to Tetrairon(III) Single-Molecule Magnets with Ultrashort Tethering Groups

“…The modelling of preferential orientation effects, i.e., a non-perfectly random distribution of crystallite orientations in the sample, was required for an accurate fitting of M M vs. H curves. To this aim, we used the correction scheme recently published by some of us, which implies the refinement of one additional least-squares parameter (a 2 ) [16]. The estimated standard deviations of best-fit parameters, quoted in Table 1, were calculated from the variances of the regression coefficients, as provided by routine E04YCF [54].…”

“…Chemisorbed monolayers on gold were prepared introducing S-based "alligator clips" in the structure of Fe 4 complexes [14]. To this aim, thioacetyl-terminated alkyl chains of different length were primarily used, like R = (CH 2 ) 3 SAc [15,16], (CH 2 ) 5 SAc [6,17], and (CH 2 ) 9 SAc [7,14,18]. The monoester of pentaerythritol (R = CH 2 OH) with (±)-α-lipoic acid was also used to anchor molecules on gold through the 1,2-dithiolan-3-yl moiety.…”