[en] Two groups of compounds differing in the crystal supramolecular architecture and luminescence properties have been identified in a series of boron difluoride benzoylacetonates. In the case of the first group, the luminescence spectra of saturated solutions are bathochromically shifted relative to those of crystals. Molecules of the compounds of the first group are organized into infinite stacks with just one type of overlapping. The quantum-chemistry simulation demonstrates that the geometry of dimers in a crystal, unlike that in saturated solutions is not optimal. J-aggregates composed of dimers of the geometry similar to the optimal one are formed in crystals of the compounds of the second group. The luminescence spectra of saturated solutions and crystals of the second group compounds are identical.

[en] Unusual twenty-membered cyclic dimer encapsulating two BF₄^- anions was obtained by the self-assembly of the tridentate N₂S donor ligand and silver ion. We are currently investigating the subtle factors influencing the formation of discrete or continuous complexes using dipicolyl sulfide derivatives including. It is a challenging work to capture ionic species or small molecules as guests. Thus, the construction of self-assembled cyclic oligomer complexes composed of metal centres connected by acyclic organic ligands has been a subject of great interest together with the inclusion phenomena of macrocyclic ligands in the supramolecular chemistry. The majority of the organic-inorgaic hybrid macrocyclic structures reported so far have been based on bis-monodentate ligands such as 4,4'-bipyridine and its derivatives interconnected by rigid or flexible spacers. The same type of ligands has been also used for the formation of coordination network

[en] The luminescence-spectral, lasing and photochemical characteristics of laser media based on boron fluoride complexes of dipyrromethenes, embedded into solid bulk matrices of polymethylmethacrylate and its modifications (obtained by adding polyhedral oligomeric silsesquioxane during polymerisation) and into polymer films, in which polyhedral silsesquioxane enters the composition of monomeric unit, have been investigated. (lasers)

No abstract available

No abstract available

[en] We have been investigating “quantum chemistry-assisted synthesis route development” using in silico screenings and applied the method to several targets. Another example was conducted to develop synthesis routes for a urea derivative, namely 1-(4-(trifluoromethyl)-2-oxo-2H-chromen-7-yl)urea. While five synthesis routes were examined, only three routes passed the second in silico screening. Among them, the reaction of 7-amino-4-(trifluoromethyl)-2H-chromen-2-one and O-methyl carbamate with BF_3 as an additive was ranked as the first choice for synthetic work. We were able to experimentally obtain the target compound even though its yield was as low as 21 %. The theoretical result was thus consistent with that observed. The summary of transition state data base (TSDB) is also provided. TSDB is the key to reducing time of in silico screenings

[en] The static method with the use of a quartz null pressure gauge was employed to determine the thermodynamic parameters of sublimation thermolysis of lithium tetrafluoroborate LiBFsub(4sol)→LiFsub(sol)+BFsub(3gas):ΔHsub(298deg)=20.7+-0.6 kcal/mole; ΔSsub(298deg)=47.9+-1.1 e.u. Calculated were the enthalpy and entropy of solid LiBF₄; ΔHsub(298deg)=-439.4+-0.7 kcal/mole; ΔSsub(298deg)=21.3+-1.1 e.u. The results in conjunction with the published data were used in a critical assessment of the universally adopted notions of the thermochemistry of lithium tetrafluoroborate

No abstract available

No abstract available

[en] A number of phenols and aromatic ethers were deuterated in positions ortho and para to the phenolic groups using BF₃ etherate followed by quenching with Na₂CO₃ in D₂O. This method involves mild reaction conditions and should have wide applicability in the isotopic labeling of these compounds. (author)