4,302 research outputs found
Bis(2-aminopyridine-κN 1)bis(benzoato-κO)cobalt(II)
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
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
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
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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