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H‐Mediated Magnetic Interactions between Layers in a 2D Mn II –Dicyanamide Polymer: Neutron Diffraction, DFT, and Quantum Monte Carlo Calculations
Author(s) -
Gillon Béatrice,
Hammerschmied Albert,
Gukasov Arsen,
Cousson Alain,
Cauchy Thomas,
Ruiz Eliseo,
Schlueter John A.,
Manson Jamie L.
Publication year - 2018
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201701489
Subject(s) - chemistry , dicyanamide , neutron diffraction , paramagnetism , cover (algebra) , quantum monte carlo , density functional theory , crystallography , hydrogen bond , polymer , phase diagram , condensed matter physics , magnetism , spin (aerodynamics) , phase (matter) , monte carlo method , computational chemistry , crystal structure , molecule , physics , thermodynamics , ionic liquid , statistics , mathematics , organic chemistry , catalysis , mechanical engineering , biochemistry , engineering
Invited for the cover of this issue are Beatrice Gillon from LLB (CEA‐CNRS), France, Jamie L. Manson from Eastern Washington University, USA, and co‐workers. The cover image shows the experimental magnetic phase diagram of a quasi bidimensional Mn II –dca polymer and the magnetic structures of the ordered phases. The spin density, as determined in the paramagnetic phase, validates an important magnetic pathway mediated by interlayer hydrogen bonds.