An sum of van der Waals radii are marked by black dotted lines in Figure 6). In four, the molecules are paired by way of two equivalent hydrogen bonds, O(five)H2O -H . . . N(5)DAPMBH (Figure S6), similar to those in two, but with a considerably shorter H . . . N bond distance (1.80 . This also results in a short Er . . . Er intradimer separation of 6.6939(17) the smallest among the considered structures. Also, quite a few short – contacts are observed inside the dimer and among these units inside the crystal structure packing (details are supplied inside the Supplementary Section).Molecules 2021, 26,7 ofFigure six. Centrosymmetric H-bonded dimers in two. 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(4) in two.In the other compounds (5,six), the neighboring metal complexes are less connected to each and every other. Crystal packing diagrams show that the shortest intermolecular Er-Er distance within the structure of five is 7.six (Figure S10). As previously noted for the Dy and Tb analogues of Complexes five and 6 [53], there’s basically no quick intermolecular contacts inside the crystal structure, which could bring about a magnetic superexchange pathway. Indeed, a additional detailed analysis in the crystal structure of five reveals only weak C-H…Cl(two) (H…Cl of two.75 van der Waals interactions between the anionic complexes [Er(H2 DAPS)Cl2 ]- , whilst the intermolecular hydrogen bond, Cl(2) . . . H-N (Cl . . . H of 2.19 , in between the anionic complex plus the cation [(Et3 H)N] is observed, as shown in Figure S11. The Supplementary FAUC 365 Technical Information Section contains additional information regarding molecular packing inside the structures of 2. 2.3. Magnetic Properties 2.three.1. Static (DC) Magnetic Properties The temperature PF-06454589 MedChemExpress dependences of your magnetic susceptibility for Complexes two had been measured in 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 product of two and five is close to the free-ion value of Er3 , 11.48 cm3 K mol-1 ; in Compounds 3 and four, mol T is somewhat reduce, probably as a result of the reduced concentration of Er3 ions inside the powder samples. Upon cooling from room temperature, the mol T product of 2 steadily decreases and then drops to c.a. 6 cm3 K mol-1 below one hundred K due to the thermal depopulation of your exited Stark levels in the Er3 ion. The field dependencies of your magnetization (M/ vs. B/T) for each of the complexes happen to be measured at temperatures of two K K in the field selection of 0 T (Figure 7 (left panels)). The magnetization of two doesn’t saturate and reaches the values of four.85 (5 T), 4.88 (7 T), five.three (7 T), and 6.01 (7 T) , respectively, at two K. The magnetic field dependences of magnetization, plotted around the M vs. H/T axes at different temperatures, usually do not coincide (Figure 7 (proper 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 (inside the form of T vs. T) of (a) 2, (b) 3, (c) four, and (d) 5. In the insets: field dependence of magnetization plotted in M vs. B (left panels), as well as the M vs. B/T plot at diverse temperatures (appropriate panels).2.three.2. Crystal Field Analysis To receive a lot more insight in to the magnetic properties of Complexes two, we performed a crystal field (CF) analysis on the Er3 ion. To this finish, we simulated the DC magnetic.
