Efficient synthesis, besides other, of dibromide, diazide, diamine and diesters derived from (11R,12R)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol (3), a chiral bicyclic diol with C₂ symmetry, was developed. Esterification of 3 with saturated and unsaturated carboxylic acids and acids chlorides leads to the corresponding normal-, olefinic- and acetylenic diesters in average yields of 81%. Also more efficient techniques for the preparation of starting diol 3 in higher yields as well as for a very simple separation of DCU from reactions carried out following DCC/DMAP mehod are described.

A series of Schiff base ester, 4-{[(4-iodophenyl)imino]methyl}phenyl alkanoates possessing different number of carbon atoms at the terminal alkanoyloxy chain (C_n-1H_2n-1COO-, n = 4, 6, 8, 10, 12, 14) was synthesized. C4 member was found non-mesogenic, whilst C6 to C14 derivatives exhibited enantiotropic smectic A phase with fan-shaped texture. It was found that the length of terminal alkanoyloxy chain influenced the mesomorphic properties.

In this work, the Tetracarboxyphenylporphyrin Covalently Bound to Silica was used as adsorbent to remove Crystal Violet (CV) from aqueous solution. Silica gel immobilizing Tetracarboxyphenylporphyrin (TCPP) chromophore was prepared by the reactions of 3-aminopropyl silica gel (SiO₂-NH₂) with the TCPP. The 3-aminopropyl silica gel (SiO₂-NH₂) was selected as the carrier because of its ability to immobilize the functional groups through a covalent bond. Micrometer-sized SiO₂-NH₂ beads were prepared by reacting silica gel with 3-aminopropyl(triethoxy)silane (H₂N(CH₂)₃Si(OEt)₃). The immobilization of TCPP chromophores on SiO₂-NH₂ was performed by the sol-gel method. The bond formation was confirmed by the appearance of an amide bond at 1650 and 1539 cm⁻¹ in the FT-IR spectra. The SiO₂-NH₂-TCPP was used as adsorbent for removing Crystal Violet from aqueous solutions. The dye adsorption experiments were carried out by using bath procedure. UV-visible absorption spectroscopy was used to record the adsorption behavior. The pH effects, the contact time and the initial dye concentration were changed to obtain the best experimental conditions. The dye adsorption equilibrium was rapidly attained after 25 min of contact time. The experimental data were best fitted to isotherm models.

Isomerization reactions between nitroso oxide and nitrocompounds in both triplet and singlet states were studied with quantum chemistry methods. Calculated activation parameters for different paths of the isomerization reactions. It was shown that both in the singlet and triplet states the said reaction proceeds to the nitrocompound formation direction.

A homologous series of cholesteryl 4'-alkyloxybiphenyl-4-carboxylates (C_nH_2n+1OC₆H₄ C₆H₄COOCh, where Ch = cholesteryl) possessing different length of alkyl chain (n = 6, 8, 10, 12, 14, 16, 18) were synthesized. Phase transition temperatures and thermal parameters were obtained from differential scanning calorimetry. Observation under optical polarizing microscope revealed all the members of the series possessing SmA property. Additional mesophase was observed for lower members whereby the C6-14 derivatives displayed fan-shaped and oily streaks textures of cholesteric phase. The influence of structural changes on the mesomorphic properties is discussed.

We synthesized a new hybrid organo-inorganic polyoxometalate from Na₂WO₄ and di-sodium salt of para-nitrophenyl ester of phosphoric acid, Na₂C₆H₄NO₂@[PW₁₂O₄₀]. Photochemical activity of the compound towards mandelic acid and isopropyl alcohol was studied. It was shown that the polyoxometalate synthesized behaves itself as a powerful photooxidazing agent and/or a catalyst of the photochemical oxidation of the said H-atom donors by nitrocompound in the presence of oxygen.

DFT computations were carried out to characterize the ¹⁷Oand ²H electric field gradient, EFG, in various bisphosphonic acids derivatives. The computations were performed at the B3LYP level with 6-311++G (d, P) standard basis set. Calculated EFG tensors were used to determine the ¹⁷O and ²H nuclear quadrupole coupling constant, c and asymmetry parameter, η. The results showed that various substituents have a strong effect on the Nuclear Quadrupole Resonance (NQR) parameters (c, η) of ¹⁷O in contrast with ²H NQR parameters. The NQR parameters were studied in order to find the correlation between electronic structure and activity of structure. Investigations showed that substitutions on the carbon atom in P-C-P are important in bisphosphonates drug properties.

The aromaticities of all possible dinitro, diamino substituted diaza derivatives of benzene; pyrazine, pyrimidine and pyridazine, have been investigated by computational calculations at the level of B3LYP/6-31G(d,p). The NICS (0), NICS (0.5), NICS (1.0) data have been reported herein. 2_5,6A_2,4N and 3_2,3A_5,6N are found to be the most aromatic structures among all. The results indicated that, the more closer the nitro groups to the aza points, the more aromatic the structure.

Elimination of 4 haloidbenzenes, benzoic acid and diphenyl spectral parameters from all investigated dependencies Dd_i^H–s and DCAP–s seems to be logically grounded. Such elimination is explained by specific behavior of this compounds in NMR ¹H spectra. In this connection R correlation coefficient essentially increases in all diagrams with above constants elimination.

A comparative study of 6-methoxy-, 7-methoxy- and 6,7-dimethoxycarbostyrils revealed, that both, the 6 and the 7-methoxy group have different effects to the fluorescence properties of carbostyrils such as fluorescence wavelength, quantum yield and Stoke\'s shift. A further important influence is visible from the electron acceptor properties of the substituent in position 4