2,555 research outputs found
Tetraaquabis{2-[4-(3-pyridyl)pyrimidin-2-ylsulfanyl]acetato}manganese(II) dihydrate
In the title compound, [Mn(C11H8N3O2S)2(H2O)4]·2H2O, the MnII ion lies on an inversion centre and is coordinated by four water molecules in equatorial positions and two N atoms from two 2-[4-(3-pyridyl)pyrimidin-2-ylsulfanyl]acetate ligands in the axial positions. The water molecules, including the uncoordinated water molecules, and the acetate O atoms are involved in O—H⋯O and O—H⋯N hydrogen-bonding interactions, which link the components into layers parallel to the a (b + c) plane
Large-gap quantum spin Hall insulators in tin films
The search of large-gap quantum spin Hall (QSH) insulators and effective
approaches to tune QSH states is important for both fundamental and practical
interests. Based on first-principles calculations we find two-dimensional tin
films are QSH insulators with sizable bulk gaps of 0.3 eV, sufficiently large
for practical applications at room temperature. These QSH states can be
effectively tuned by chemical functionalization and by external strain. The
mechanism for the QSH effect in this system is band inversion at the \Gamma
point, similar to the case of HgTe quantum well. With surface doping of
magnetic elements, the quantum anomalous Hall effect could also be realized
4-{(Z)-(sec-Butylamino)(phenyl)methylene}-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
In the title compound, C21H23N3O, the dihedral angles formed by the pyrazolone ring with two phenyl rings are 10.38 (8) and 76.94 (6)°. The sec-butylamino group is disordered over two positions, with refined site-occupancy factors of 0.730 (4) and 0.270 (4). The compound could potentially be ligand stabilized in the solid state in a keto–enamine tautomeric form. The amine functionality is involved in an intramolecular N—H⋯O hydrogen bond, while weak intermolecular C—H⋯O and C—H⋯N hydrogen bonds participate in the formation of the crystal structure
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