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The paper discusses mechanisms of molecular motion in lamellar chain molecular crystals of the stearic acid. Thermal calorimetry, dielectric and IR-spectroscopy methods indicate a phase transition ...

A quantum-chemical analysis of allocation of charge and molecular geometry of linear conjugated dye systems was calculated. It was publicized that a charge (electron or hole) in the united π-electronic dyes system is autolocalized. The charge in that case of system made the bond length and charge soliton waves. Established donor groups in the dye systems produce the additional waves at the ends of collective π-electron chain that causes moving of soliton-like waves and the breaking of the charge distribution symmetry in the elongated polymethine cations. In the case of molecules with short polymethine chain, the terminal groups’ contribution becomes principal. The same character of the charge distribution in cation polymethine dye chromophore is confirmed by the NMR spectra.

Досліджено ацилювання аміногрупи алкі- лових S-естерів 4-амінобензентіосульфокислоти ціанурхло- ридом. Серію естерів із триазиновим фрагментом було синтезовано та охарактеризовано елементарним аналізом, 1H- ЯМР та ІЧ-спектроскопією. Досліджено рістрегулювальну ак- тивність синтезованих сполук. Визначено певний вплив струк- тури тіосульфоестерів на їх рістрегулювальну активність. The acylation of aminogroup of alkyl S-esters 4-aminobenzenthiosulfoacid with cyanurchloride was investigated. Series of esters with triazine fragment were synthesized and characterized by elemental analysis, 1H NMR and IR spectroscopy. The growth-regulative activity of the synthesized compounds was researched. Some appropriate effect of thiosulfoesters structure upon their growth-regulative activity was determined.

A series of esters of 4-acetyl, 4-trifluoroacetyl- and 4-(3-chloropropionyl)aminobenzenethiosulfoacids (twenty-four compounds) were synthesized and characterized by elemental analysis, 1H NMR and IR spectroscopy. The antibacterial activity of the novel candidates has been screened using the agar diffusion or serial dilution methods against representative Gram-positive (Staphylococcus aureus, Bacillus subtilis, Bacillus mesentericus, Mycobacterium sp., Mycobacterium luteum), Gram-negative (Aeromonas sp., Burkholderia cepacia, Alcaligenes faecalis, Pseudomonas aeruginosa, Escherichia coli, Proteus vulgaris) bacteria and fungi (Candida albicans, Candida tenuis, Candida glabrata, Verticillium dahliae, Trichophyton gypseum, Aspergillus niger, Aspergillus fumigatus, Penicillium chrysogenum). Particular potency has been discovered against all tested pathogenic bacteria and fungi by compounds 1l and 3l at nanomolar concentrations. Some appropriate effect of thiosulfoesters structure upon their antimicrobial activity was determined.

Linear conjugated systems are the systems of connected p-orbitals with delocalized electrons in molecular compounds with the alternation of simple and multiple bonds. In general, the linear conjugated systems, which will be discussed here, can be represented by the formula [R1 – (CH)m – R2], where R1 and R2 are terminal group connected to the polymethine chain. These systems can be either electric neutral and charged positively or negatively, depending on what they injected – electron or hole. Methine carbon atom of (CH) in the chain is in sp2-hybridized state. To explain the properties of some organic compounds such as quasi-metallic conductivity, a significant change in the spectral properties of ionic dyes that absorb and emit light in the near infrared region of the spectrum [1, 2, 3, 4] managed, including through the use of the concept of solitons. It is established that injection of electrons/holes in the conduction band leads to soliton level appearance inside the restricted area and this is accompanied by marked shift of the valence band top and the conduction band bottom, when electron injected – downward energy, in the case of hole injection – in the direction of energy increasing [1, 2, 3, 4]. In this work we use the charge transfer model based on the concept of solitons, according to Davidov A. [4] which complements and develops other models [1, 2, 3, 4]. 1. Mishra А. Cyanine during 1990s: А review. Chem. Rev., 2000, 100, p.1973–2011. 2. F.Meyers, S.R.Marder, J.W.Perry, Introducing to Nonlinear Optical Properties Organic Materials. In Chemistry Advanced Materials. An Overreviw. Chapt. 6. Ed. L. V. Interrante, J.Hampden-Smith. 1998. Wiley-VCH. Inc. New York-Chicherster-Weinheim-Brisbane-Singapore-Toronto P.207–268. 3. Bredas J.L., Street G.B. Polaron, bipolaron and solitons in conductiong polymers. Acc.Chem.Res. 1985, 18, 309–315. 4. 4. Davydov A. S. (1973). “The theory of contraction of proteins under their excitation”. Journal of Theoretical Biology 38 (3): 559–569. doi:10.1016/0022-5193(73)90256-7. PMID 4266326.

Derivatives of 5,8-quinolinequinone have stimulated considerable interest as biologically active compounds [1], but no data are available on synthesis of its derivatives containing a thiosulfonate moiety. Continuing our research on thiosulfonic acid esters in the heterocyclic series [2, 3], we have studied the reaction of thiosulfonic acid salts with 6,7-dichloroquinoline-5,8-quinone. In acetone at low temperature (from -18 to -10°C), the chlorine atoms are easily substituted by a thiosulfonate moiety with formation of two monosubstitution products 3a,b and 4a,b with a predominant amount of 3a,b, and also compound 5, the amount of which depends on the reaction conditions (temperature, solvent, and rate at which the salt 2a,b is added). The structure of the products 3a,b and 4a,b obtained has been confirmed by elemental analysis, IR spectroscopy, and an alternate synthesis for verifying identity.