An sum of van der Waals radii are marked by black dotted lines in Figure 6). In 4, the molecules are paired by way of two equivalent hydrogen bonds, O(five)H2O -H . . . N(five)DAPMBH (Figure S6), comparable to those in 2, but with a considerably shorter H . . . N bond distance (1.80 . This also leads to a quick Er . . . Er intradimer separation of six.6939(17) the smallest among the regarded structures. Also, many short – contacts are observed inside the dimer and in between these units in the crystal structure packing (details are supplied inside the Supplementary Section).Molecules 2021, 26,7 ofFigure six. Centrosymmetric H-bonded dimers in 2. C-H . . . N bonds are shown by blue dashed lines. C . . . C contacts 3.6 are shown by black dotted lines. The Er . . . Er intradimer distance is 7.0386(four) in 2.In the other compounds (5,6), the neighboring metal complexes are less connected to every other. Crystal packing diagrams show that the shortest intermolecular Er-Er distance inside the structure of five is 7.6 (Figure S10). As previously noted for the Dy and Tb analogues of Complexes five and six [53], there is primarily no short intermolecular contacts inside the crystal structure, which could cause a magnetic superexchange pathway. Certainly, a more detailed analysis from the crystal structure of five reveals only weak C-H…Cl(2) (H…Cl of two.75 van der Waals interactions in between the anionic complexes [Er(H2 DAPS)Cl2 ]- , even though the intermolecular hydrogen bond, Cl(two) . . . H-N (Cl . . . H of two.19 , involving the anionic complex as well as the cation [(Et3 H)N] is observed, as shown in Figure S11. The Supplementary section consists of far more information regarding molecular packing in the structures of 2. two.three. Magnetic Properties 2.3.1. Static (DC) Magnetic Properties The temperature dependences of your magnetic susceptibility for Complexes 2 have been measured within the temperature range of 200 K, within the field-cooled (FC) mode, at a 1000 Oe DC magnetic field, as shown in Figure 7. At room temperature, the mol T item of 2 and 5 is close towards the free-ion worth of Er3 , 11.48 cm3 K mol-1 ; in Compounds 3 and 4, mol T is somewhat reduced, likely due to the reduced concentration of Er3 ions inside the powder samples. Upon cooling from room temperature, the mol T solution of two steadily decreases and then drops to c.a. six cm3 K mol-1 beneath 100 K due to the thermal depopulation with the exited Stark levels in the Er3 ion. The field dependencies in the magnetization (M/ vs. B/T) for all the complexes have been measured at MRTX-1719 MedChemExpress temperatures of two K K inside the field range of 0 T (Figure 7 (left panels)). The magnetization of two does not saturate and reaches the values of four.85 (5 T), 4.88 (7 T), five.3 (7 T), and 6.01 (7 T) , respectively, at 2 K. The magnetic field dependences of magnetization, plotted around the M vs. H/T axes at diverse temperatures, usually do not coincide (Figure 7 (appropriate panels)), signifying the considerable single-ion magnetic anisotropy of those complexes.Molecules 2021, 26,eight ofFigure 7. Experimental (open circles) and calculated (strong red lines) temperature dependences of magnetic susceptibility (in the type of T vs. T) of (a) 2, (b) three, (c) four, and (d) 5. Within the insets: field dependence of magnetization plotted in M vs. B (left panels), and the M vs. B/T plot at unique temperatures (right panels).two.three.2. Crystal Field Analysis To obtain additional MNITMT Data Sheet insight in to the magnetic properties of Complexes two, we performed a crystal field (CF) evaluation with the Er3 ion. To this end, we simulated the DC magnetic.
