8 research outputs found
Vibrational spectrum of BiH3: Six-dimensional variational calculations on high-level ab initio potential energy surfaces
No full text(Hexafluorosilicato-к2F,F')bis(1,10-phenanthroline-к2N,N')zinc(II) methanol monosolvate
No full textThe title compound, [Zn(SiF<sub>6</sub>)(C<sub>12</sub>H<sub>8</sub>N<sub>2</sub>)<sub>2</sub>]•CH<sub>3</sub>OH, contains a neutral heteroleptic tris-chelate Zn<sup>II</sup> complex, viz. [Zn(SiF<sub>6</sub>)(phen)<sub>2</sub>] (phen is 1,10-phenanthroline), exhibiting approximate molecular C<sub>2</sub> point-group symmetry. The Zn<sup>II</sup> cation adopts a severely distorted octahedral coordination. As far as can be ascertained, the title complex represents the first structurally characterized example of a Zn<sup>II</sup> complex bearing a bidentate-bound hexafluorosilicate ligand. A density functional theory study of the isolated [Zn(SiF<sub>6</sub>)(phen)<sub>2</sub>] complex was undertaken to reveal the influence of crystal packing on the molecular structure of the complex. In the crystal structure, the methanol solvent molecule forms a hydrogen bond to one F atom of the hexafluorosilicate ligand. The hydrogen-bonded assemblies so formed are tightly packed in the crystal, as indicated by a high packing coefficient (74.1%)
Reversible crystal-to-crystal phase transition of a 4,4′-bipyridine-linked dinuclear copper(II) complex
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