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Ramon Vicente - One of the best experts on this subject based on the ideXlab platform.

Albert Escuer - One of the best experts on this subject based on the ideXlab platform.

Franz A Mautner - One of the best experts on this subject based on the ideXlab platform.

Mohamed Salah El Fallah - One of the best experts on this subject based on the ideXlab platform.

Jerzy Mrozinski - One of the best experts on this subject based on the ideXlab platform.

  • magnetic properties and dmrg modeling of the 1d bimetallic thiocyanate Bridged Compound cul1 co ncs 4 l1 n rac 5 12 me2 14 4 11 dienen4
    2009
    Co-Authors: P Sobczak, Artur Barasinski, A Drzewinski, G Kamieniarz, Julia Klak, Alina Bienko, Jerzy Mrozinski
    Abstract:

    Abstract The magnetic properties of the bimetallic Compound {(CuL1)[Co(NCS)4]}, where L1 = N-rac-5,12-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene have been numerically analysed on the basis of the anisotropic Heisenberg spin-chain model. In the model the single-ion anisotropy of the Co(II) ions is taken into account and the interchain interactions are neglected. The thermodynamic properties are calculated using the DMRG technique adapted to the molecular-based chains for the first time which is reliable in the entire temperature region. The high accuracy results of our simulations have been successfully fitted to the corresponding experimental susceptibility and magnetization data measured for the powder sample and the model parameters (the exchange coupling J, the absolute value of the anisotropy constant D, the anisotropic g factors) have been estimated. The quantum model parameters are consistent with the previous findings, although the ferromagnetic interactions between Cu(II) and Co(II) ions through the thiocyanate bridge are somewhat weaker (J/kB = 1.0 ± 0.1) than found before.

  • crystal structure and magnetic properties of the 1d bimetallic thiocyanate Bridged Compound cul1 co ncs 4 l1 n rac 5 12 me2 14 4 11 dienen4
    2008
    Co-Authors: Jerzy Mrozinski, Julia Klak, Rafal Kruszynski
    Abstract:

    Abstract The synthesis, crystal structure and magnetic properties are reported for the new bimetallic Compound {(CuL1)[Co(NCS)4]} where L1 = N-rac-5,12-dimethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene. The complex forms a one-dimensional zig-zag coordination polymer along the crystallographic c axis, with Co(II) and Cu(II) ions connected via thiocyanate bridges. The Co(II) centre in the [Co(NCS)4] fragment approximates a distorted tetrahedral symmetry. The Cu(II) geometry is a distorted tetragonal bipyramid with the apical position occupied by the bridging thiocyanate ligand and the basal ones by the four nitrogen atoms from the macrocyclic ring. The polymer chain nearest Cu(1)⋯Co(1) distances are 6.4152(9) and 6.0988(9) A and the nearest Cu(1)⋯Co(1) interchain distances are 6.8609(9), 6.9628(9) and 6.0336(10) A. The magnetization measurements for the examined Compound have been carried out over the range 1.8–300 K. This data suggest ferromagnetic interactions through the thiocyanate bridge.