Features of the Formation of Halide Complexes of Platinum Metals with Co(III) Ammonia

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Crystalline powders of double complex salts of various compositions have been isolated by the interaction of solutions containing [Co(NH3)6]3+ cations and [MHal4]2− (M = Pt(II), Pd(II); Hal = Cl−, Br−) anions. It has been experimentally found that the replacement of chloride ions in the Co–Pd system with bromide ions leads to the formation of compounds with a Co : Pd = 2 : 3. In the presence of sulfate ions, crystals of a compound of the composition {[Co(NH3)6](SO4)2[Co(NH3)6]}[PdBr4]. The compound was isolated for the first time and characterized by elemental analysis, X-ray diffraction, IR spectroscopy, and X-ray diffraction (CCDC 2355175). The structures were investigated by the DFT/PBE0 method in the def2 tzvp basis. Molecular graphs of compounds have been constructed and indicators of non-valent interactions have been identified as part of the topological analysis of electron density. Their energies and the total effect, which can have a strong electrostatic and induction effect on the formation of crystal structures, are approximately estimated.

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作者简介

E. Volchkova

MIREA – Russian Technological University

编辑信件的主要联系方式.
Email: volchkovaev@bk.ru
俄罗斯联邦, 78, Vernadsky Ave., Moscow, 119571

T. Buslaeva

MIREA – Russian Technological University

Email: volchkovaev@bk.ru
俄罗斯联邦, 78, Vernadsky Ave., Moscow, 119571

N. Paninа

Saint Petersburg State Institute of Technology (Technical University)

Email: volchkovaev@bk.ru
俄罗斯联邦, 26, Moskovsky Ave., Saint Petersburg, 190013

A. Churakov

Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences

Email: volchkovaev@bk.ru
俄罗斯联邦, 31, Leninsky Ave., Moscow, 119991

Ya. Lobkov

MIREA – Russian Technological University

Email: volchkovaev@bk.ru
俄罗斯联邦, 78, Vernadsky Ave., Moscow, 119571

I. Dedyukhin

Ural Federal University

Email: volchkovaev@bk.ru
俄罗斯联邦, 19, Mir St., Ekaterinburg, 620062

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2. Fig. 1. Structure of [Co(NH3)6]3+ cation and [PdCl4]2- and SO42- anions in crystal III. Thermal ellipsoids are given at 50% probability. Disorder components are depicted by open and bold dashed lines. Hydrogen bonds are shown by thin dashed lines.

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3. Fig. 2. Layered alternating packing in structure III.

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4. Fig. 3. Reciprocal arrangement of disorder components in [PdBr4]2- anion layers. View along the 3rd order axis. The apical Br(1) atoms lying on axis 3 are not shown for clarity.

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5. Fig. 4. Optimised structures of molecular formations: (a) - [Co(NH3)6]2[PtCl4]3; (b) - [Co(NH3)6]2[PdBr4]3.

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6. Fig. 5. Optimised structure of the molecular formation of {[Co(NH3)6](SO4)2[Co(NH3)6]}[PdBr4].

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7. Fig. 6. Molecular graph of the compound {[Co(NH3)6](SO4)2[Co(NH3)6][PdBr4]} (numbered atoms are involved in non-valent H2NH...Br interactions).

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