Henrich, L.; Müller, P.C.; Hempelmann, J.; Mann, M.; van Leusen, J.; Steinberg, S.; Dronskowski, R. Synthesis and Characterization of Iron Bispyridine Bisdicyanamide, Fe[C5H5N]2[N(CN)2]2. Molecules2023, 28, 4886.
Henrich, L.; Müller, P.C.; Hempelmann, J.; Mann, M.; van Leusen, J.; Steinberg, S.; Dronskowski, R. Synthesis and Characterization of Iron Bispyridine Bisdicyanamide, Fe[C5H5N]2[N(CN)2]2. Molecules 2023, 28, 4886.
Henrich, L.; Müller, P.C.; Hempelmann, J.; Mann, M.; van Leusen, J.; Steinberg, S.; Dronskowski, R. Synthesis and Characterization of Iron Bispyridine Bisdicyanamide, Fe[C5H5N]2[N(CN)2]2. Molecules2023, 28, 4886.
Henrich, L.; Müller, P.C.; Hempelmann, J.; Mann, M.; van Leusen, J.; Steinberg, S.; Dronskowski, R. Synthesis and Characterization of Iron Bispyridine Bisdicyanamide, Fe[C5H5N]2[N(CN)2]2. Molecules 2023, 28, 4886.
Abstract
Fe[C5H5N]2[N(CN)2]2 (1) was synthesized from a reaction of stoichiometric amounts of NaN(CN)2 and FeCl2·4 H2O in a methanol/pyridine solution. Single-crystal and powder diffraction show that 1 crystallizes in the monoclinic space group I2/m (no. 12), different from Mn[C5H5N]2[N(CN)2]2 (P21/c, no. 14) due to tilted pyridine rings, with a = 7.453(7) Å, b = 13.167(13) Å, c = 8.522(6) Å, β = 114.98(6)° and Z = 2. ATR-IR, AAS, and CHN measurements confirm the presence of dicyanamide and pyridine. Thermogravimetric analysis shows that π-stacking interactions of the pyridine rings play an important role in structural stabilization. Based on DFT-optimized structures, a chemical bonding analysis was performed using a local-orbital framework by projection from a plane-wave basis. The resulting bond orders and atomic charges are in good agreement with the expectations based on the structure analysis. SQUID magnetic susceptibility measurements show a high-spin state FeII compound with predominantly antiferromagnetic exchange interactions at lower temperatures.
Chemistry and Materials Science, Inorganic and Nuclear Chemistry
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
,
,
,
*
