P1-0045 — Annual report 2013
1.
[Li(XeF2)n](AF6) (A = P, As, Ru, Ir), the first xenon(II) compounds of lithium

The reactions between compounds of the MAF6 (M = alkali metal; A = P, As, V, Ru, Ir, Sb, Nb, Ta) type and xenon difluoride were studied in anhydrous hydrogen fluoride solvent. The coordination products [M(XeF2)n]AsF6 were only observed in the case of LiAF6 (A = P, As, Ru, Ir), and the crystal structure of [Li(XeF2)3]AsF6 was determined. The coordination sphere of lithium is comprised of six F atoms, five from XeF2 molecules and one from AsF6- unit. Lithium atoms are connected via XeF2 molecules forming layers. The compound series was also characterized by Raman spectroscopy.

COBISS.SI-ID: 26682919
2.
Structural transition and unusually strong antiferromagnetic superexchange coupling in perovskite KAgF3

We have investigated magnetic and structural properties of potassium trifluoridoargentate(II). The results of magnetic properties show strong superexchange antifferomagnetic interactions between neighbouring silver(II) ions within the chains. The strength of interactions is reminiscent to that found in superconductors based on copper(II) oxides.

COBISS.SI-ID: 26815783
3.
Removal of Hg(0) in wet FGD by catalytic oxidation with air - A contribution to the development of a process chemical model

The work presents the results of experimental testing and development of the chemical model of the process, by which the possible mechanisms of mercury oxidation within the flue gas desulphurisation process are enlightened, and possible adaptations of the process are proposed for improvement of Hg0 removal efficiency and final safe removal of mercury from the system.

COBISS.SI-ID: 26542887
4.
Crystal structures and Raman spectra of imidazolium poly[perfluorotitanate(IV)] salts containing the [TiF6]2-, ([Ti2F9]-∞, and [Ti2F11]3- and the new [Ti4F20]4- and [Ti5F23]3- anions

Investigations of the Im−TiF4 system in aHF solvent have afforded five new salts, [ImH]2[TiF6]•2HF, [ImH]3[Ti2F11], [ImH]4[Ti4F20], [ImH]3[Ti5F23], and [ImH]- [Ti2F9], where two of them have provided examples of newpoly[perfluorotitanate] anions, namely, [Ti4F20]4− and [Ti5F23]3−. A very interesting pentameric [Ti5F23]3− anion of [ImH]3[Ti5F23] results from association of five TiF6 units, where four of the TiF6 octahedra share two cis-vertices, forming a tetrameric ring as in [Ti4F20]4−, and the fifth TiF6 unit shares three fluorine vertices with three TiF6 units of the tetrameric ring. Quantum-chemical calculations at the B3LYP/SDDALL level of theory were used to arrive at the gas-phase geometries and vibrational frequencies of the [Ti4F20]4− and [Ti5F23]3− anions, which aided in the assignment of the experimental vibrational frequencies of the anion series.

COBISS.SI-ID: 26918439
5.
The cubic [Ti8F36]4- anion found in the crystal structures of K4Ti8F36•8HF and Rb4Ti8F36•6HF

During the investigation of reactions between alkaline metal fluorides and titanium tetrafluoride in an anhydrous hydrogen fluoride solvent, single crystals of K4Ti8F36•8HF and Rb4Ti8F36•6HF were prepared and their crystal structures determined. Both structures contain previously unknown discrete octameric [Ti8F36]4− anions. Each of them is constructed from eight TiF6 octahedral units sharing joint vertices and connected on that way into a cube. Herein reported [Ti8F36]4− anion represents the largest known example of discrete oligomeric species found in fluoride compounds with the metal in the oxidation state four.

COBISS.SI-ID: 26583079