Dibromido(2,3-di-2-pyridyl­pyrazine-κ2 N 2,N 3)palladium(II)

The PdII ion in the title complex, [PdBr2(C14H10N4)], is four-coordinated in a slightly distorted square-planar environment by the two pyridine N atoms of the chelating 2,3-di-2-pyridyl­pyrazine (dpp) ligand and two bromide anions. The pyridine rings are considerably inclined to the least-squares plane of the PdBr2N2 unit [maximum deviation = 0.080 (2) Å], making dihedral angles of 64.9 (1) and 66.4 (1)°. The pyrazine ring is perpendicular to the unit plane, with a dihedral angle of 89.0 (1)°. In the crystal, the complex mol­ecules are stacked in columns along the a axis and connected by C—H⋯Br hydrogen bonds, forming a helical chain along the b axis

A DFT studies on a potential anode compound for Li-ion batteries: Hexa-cata-hexabenzocoronene nanographen

In this work, the possible apply of a hexa-cata-hexabenzocoronene HCor as anode material was studied for Li-ion batteries (LIBs) using the B3LYP/6-31G* level. The planar structure of HCor is less stable (by about 0.243 hartree) in comparison with the twisted structure. The Li cation and neutral are suitably adsorbed high up the middle of a HCor hexagonal ring with the adsorption energy of -120.3 and -2.7 kcal/mol, respectively. The calculated specific storage capacity of HCor is 450.1 mAh/g and the great cell voltage is 2.63 V generated by the interaction between Li+ and HCor. The HCOR is considered an ideal candidate to be used as an anode material in LIBs because of high storage capacity and ion mobility

Tetra­chlorido(2,3-di-2-pyridylpyrazine-κ2 N 1,N 2)platinum(IV)

In the title complex, [PtCl4(C14H10N4)], the PtIV atom is six-coordinated in an octa­hedral configuration by two N atoms from one 2,3-di-2-pyridylpyrazine ligand and four terminal Cl atoms. Inter­molecular C—H⋯Cl and C—H⋯N hydrogen bonds stabilize the crystal structure