caa a22 4500 445380683 CHVBK 20180317143016.0 cr unu---uuuuu 170323e20110101xx s 000 0 eng 10.1007/s10948-010-1030-3 doi (NATIONALLICENCE)springer-10.1007/s10948-010-1030-3 Synthesis and Magnetic Properties of Mn12-Based Single Molecular Magnets with Benzene and Pentafluorobenzene Carboxylate Ligands [Elektronische Daten] [V. Zagaynova, T. Makarova, N. Spitsina, D. Boukhvalov] We report on the synthesis and magnetic properties of Mn12-based single molecular magnets (SMMs) with benzene and pentafluorobenzene carboxylate ligands. The changes in ligand structure are shown to have a decisive effect on the magnetic properties of the complexes produced. The compound with benzene demonstrates an unusual magnetic behavior, namely, temperature dependencies of magnetization taken under the zero-field-cooled and field-cooled conditions are split below 10 K and furthermore remnant magnetization and coercive force remain nonzero in this temperature range. In contrast, the compound with pentafluorobenzene displays the customary signatures of the blocking temperature at 3K. The effect of ligand substitution was theoretically studied within the local density approximation taking into account on-site Coloumb repulsion. Calculation results confirm that the electronic structure and the magnetic exchange interactions between different Mn atoms strongly depend on the type of ligand. Springer Science+Business Media, LLC, 2010 Mn12 nationallicence SMM nationallicence Magnetic properties nationallicence Zagaynova V. Department of Experimental Physics, Umea University, 90187, Umeå, Sweden aut Makarova T. Department of Experimental Physics, Umea University, 90187, Umeå, Sweden aut Spitsina N. Institute of Problems of Chemical Physics RAS, 142432, Chernogolovka, Moscow Region, Russia aut Boukhvalov D. Computational Materials Science Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, 305-0047, Ibaraki, Japan aut Journal of Superconductivity and Novel Magnetism Springer US; http://www.springer-ny.com 24/1-2(2011-01-01), 855-859 1557-1939 24:1-2<855 2011 24 10948 https://doi.org/10.1007/s10948-010-1030-3 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10948-010-1030-3 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Zagaynova V. Department of Experimental Physics, Umea University, 90187, Umeå, Sweden aut NATIONALLICENCE 700 1- Makarova T. Department of Experimental Physics, Umea University, 90187, Umeå, Sweden aut NATIONALLICENCE 700 1- Spitsina N. Institute of Problems of Chemical Physics RAS, 142432, Chernogolovka, Moscow Region, Russia aut NATIONALLICENCE 700 1- Boukhvalov D. Computational Materials Science Center, National Institute for Materials Science, 1-2-1 Sengen, Tsukuba, 305-0047, Ibaraki, Japan aut NATIONALLICENCE 773 0- Journal of Superconductivity and Novel Magnetism Springer US; http://www.springer-ny.com 24/1-2(2011-01-01), 855-859 1557-1939 24:1-2<855 2011 24 10948 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer