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@MASTERSTHESIS{Raddad:1045976,
      author       = {Raddad, Eman},
      title        = {{D}euteration effect on structure, magnetic and
                      thermodynamic properties in spin-crossover compound
                      {F}e({NCS})2({PM}-{B}i{A})2},
      school       = {Birzeit University Palestine},
      type         = {Masterarbeit},
      reportid     = {FZJ-2025-03635},
      pages        = {81 p.},
      year         = {2025},
      note         = {Masterarbeit, Birzeit University Palestine, 2025},
      abstract     = {This thesis explores the role of the deuteration effect on
                      the change of the structure, magnetic, and thermodynamic
                      properties in spin crossover compound Fe(NCS)₂(PM-BiA)₂,
                      where PM-BiA stands for pyridine-2-aldehyde-4-aminobiphenyl.
                      In this study, the 4-aminobiphenyl was deuterated to
                      $95.7\%$ and engaged to form a partial ligand with
                      pyridine-2-aldehyde. As a result, both orthorhombic and
                      monoclinic polymorphs of the compound were synthesized in
                      partial deuterated forms with some impurities and compared
                      with the protonated form after characterization by X-ray
                      diffraction, physical property measurement system, and
                      differential scanning calorimetry.Deuteration affects the
                      transition temperature, leading to a reduction in the
                      monoclinic phase and an increase in the orthorhombic phase
                      when compared with the protonated ones. This could be
                      attributed to deuteration lowering the energy required for
                      the spin transition and altering the reduced mass, therefore
                      influencing lattice vibrations. Moreover, the involvement of
                      deuterated sites in hydrogen bonding contributes to an
                      increase in the transition temperature.The orthorhombic
                      structure shows an increase in all lattice parameters
                      compared to the monoclinic structure. The different behavior
                      could be due to the difference in volume or density.
                      Additionally, the deuteration leads to a significant
                      reduction in enthalpy (ΔH) and entropy (ΔS) results, which
                      could be due to lowered zero-point energy and weaker
                      cooperative interactions.},
      cin          = {JCNS-2 / JARA-FIT},
      cid          = {I:(DE-Juel1)JCNS-2-20110106 / $I:(DE-82)080009_20140620$},
      pnm          = {632 - Materials – Quantum, Complex and Functional
                      Materials (POF4-632) / 6G4 - Jülich Centre for Neutron
                      Research (JCNS) (FZJ) (POF4-6G4)},
      pid          = {G:(DE-HGF)POF4-632 / G:(DE-HGF)POF4-6G4},
      typ          = {PUB:(DE-HGF)19},
      doi          = {10.34734/FZJ-2025-03635},
      url          = {https://juser.fz-juelich.de/record/1045976},
}