4,302 research outputs found

    Bis(2-amino­pyridine-κN 1)bis­(benzoato-κO)cobalt(II)

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    In the title compound, [Co(C7H5O2)2(C5H6N2)2], the CoII atom is hexa­coordinated by four O atoms from two benzoate anions, and two N atoms from two 2-amino­pyridine mol­ecules, resulting in a distorted octa­hedral geometry. Both benzoate anions act as bidentate ligands and both 2-amino­pyridine mol­ecules are coordinated to the metal through their pyridyl N atoms. The crystal packing is stabilized by inter­molecular N—H⋯O hydrogen bonds, C—H⋯π, and π–π stacking inter­actions involving benzoate anions and 2-amino­pyridine mol­ecules

    2-[(4-Bromo­phenyl­imino)­meth­yl]-4,6-di­iodo­phenol

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    The title compound, C13H8BrI2NO, was prepared by the reaction of 3,5-diiodo­salicyl­aldehyde with 4-bromo­phenyl­amine in ethanol. There is an intra­molecular O—H⋯N hydrogen bond in the mol­ecule, which generates an S(6) ring. The dihedral angle between the benzene rings is 2.6 (3)°

    2-[(2-Chloro­phen­yl)imino­meth­yl]-4,6-di­iodo­phenol

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    The asymmetric unit of the title compound, C13H8ClI2NO, contains half of the mol­ecule situated on a mirror plane. The hy­droxy group is involved in the formation of an intra­molecular O—H⋯N hydrogen bond. π–π inter­actions between the benzene rings of neighbouring mol­ecules [centroid–centroid distance = 3.629 (3) Å] form stacks along the b axis. In the crystal, weak C—H⋯O and C—H⋯Cl inter­actions are observed

    Magnetic Borophenes from an Evolutionary Search

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    A computational methodology based on ab initio evolutionary algorithms and spin-polarized density functional theory was developed to predict two-dimensional magnetic materials. Its application to a model system borophene reveals an unexpected rich magnetism and polymorphism. A metastable borophene with nonzero thickness is an antiferromagnetic semiconductor from first-principles calculations, and can be further tuned into a half-metal by finite electron doping. In this borophene, the buckling and coupling among three atomic layers are not only responsible for magnetism, but also result in an out-of-plane negative Poisson\u27s ratio under uniaxial tension, making it the first elemental material possessing auxetic and magnetic properties simultaneously
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