A set of alkynyl-tris(2-pyridyl)phosphine Au(I) complexes was synthesized and characterized. Free coordination functions on the ligand environment periphery, namely ‘scorpionate’ PPy₃ and the CC bond, allowed these ditopic metalloligands to be selectively linked to 1D coordination polymers by reaction with Cu(I), which used both Cu–(N-PPy₃) and Cu–(η²-CC) coordination modes. Single-crystal and powder XRD, NMR, and XPS techniques were used to characterize the coordination polymers obtained. Heterobimetallic Au(I)–Cu(I) coordination polymers demonstrate triplet photoluminescence which was studied by spectroscopic and computational methods to understand the pathway of energy transfer inside the chain of linked chromophore centres. The intriguing feature of the electronic structure of heterobimetallic supramolecular assemblies is the ‘long-distance’ electronic transition involving PhC₂ and PPy₃ ligands located at a distance of more than 1 nm from each other. Thus, the assembly of a heterobimetallic coordination polymer from relatively simple ‘building blocks’ retains the block-wise nature of the electronic structure, but the photophysical properties of the polymer are fundamentally different from the properties of discrete organometallic components.

Simulation study of surface effects and diffusion in CO ₂ -loaded cationic LTA zeolite produced CO ₂ and Na ⁺ diffusion activation energies.

A series of cyclometalated Au(III) complexes [Au(C^N^C)(C₂–L–P(O)Ph₂)] with C^N^C = 2,6-diphenylpyridine and alkynylphosphine oxide ligands (L = no linker, Au1; phenyl, Au2; biphenyl, Au3; naphthyl, Au4; anthracenyl, Au5) were synthesized and fully characterized by spectroscopic methods and single crystal XRD analysis. The complexes obtained exhibit triplet (Au1–Au3) and dual (Au4, Au5) emissions in solution, in the solid phase and in the PMMA film, whose characteristics depend on the linker's nature of the alkynylphosphine oxide ligand. The description of electronic transitions responsible for energy absorption and emission in Au(III) complexes was made on the basis of a detailed analysis of the results of DFT calculations and has shown to involve ILCT, LLCT and MLCT transitions of singlet and triplet nature. It was demonstrated that packing in the crystal affects the solid-state emission of Au(III) complexes, which differs from that in solution. Based on DFT calculations for the supramolecular dimer for Au1, it was shown that this phenomenon is the result of packing of the complex molecules in the crystal.

In this work, two series of Au(III) and Pt(II) alkynylphosphonium complexes of composition [M(CNC)(C₂−L−P(CH₃)Ph₂)]ⁿ⁺ Pt1–Pt3 (n = 0) and Au1–Au3 (n = 1), (CNC = 2,6-diphenylpyridine; L = phenyl, biphenyl, naphthyl) were synthesized and characterized to discover the similarities and differences in photophysical properties between isoelectronic metallocentres. It is shown that Au(III) and Pt(II) complexes obtained demonstrate different photophysical properties despite isoelectronic metal centres, and some reasons for that are discussed based on experimental data and quantum-chemical calculation results. Complex Pt1 also demonstrated the first example of room-temperature solution phosphorescence in the family of [Pt(CNC)(alkynyl)] complexes. It has been found that the crystal packing of Pt1 contains a Pt–H interaction, qualified by quantum-chemical calculations as a unique hydrogen bond.