Features of the alkynyl ruthenium chromophore with modified anionic subsystem UV absorption

Theoretical simulation of UV–vis absorption for a new series of alkynyl ruthenium chromophores spectra and investigations the influence of anionic substituence on a spectral shift of UV absorption was presented. The MM+ molecular force field method was used for total energy minimization and for building of the molecular optimized geometry [S.J. Weiner, P.A. Kollman, D.A. Case, U.C. Ghio, G. Alagona, J.S. Profeta, P. Weiner, J. Am. Chem. Soc. 106 (1984) 765; S.J. Weiner, P.A. Kollman, D.T. Nguyen, D.A. Case, J. Comput. Chem. 7 (1986) 230]. All quantum chemical calculations were performed by semi-empirical ZINDO/1 method within a framework of the restricted Hartree–Fock approach and convergence limit up to 10−6 eV after 500 iterations was achieved. Good agreement between the theoretically calculated and experimentally measured spectra was observed. The largest spectral shift in position of absorption peaks was observed for compound containing the anionic (Cl), substituent. The theoretically calculated absorption maximum is blue shifted with respect to the experimental spectra for all compounds what is connected with the changes of the charge transfer determining the corresponding state dipole moments. Analysis of the theoretical spectra shows a substantial sensitivity to the backside groups

beta-BaTeMo2O9 microcrystals as promising optically operated materials

Studies of optical second harmonic generation (SHG) at fundamental wavelength of 1064 nm under photoinducing treatment of monoclinic piezoelectric beta-BaTeMo2O9 (beta-BTMO) were done. Continuous wave (CW) lasers generating at 808 and 1040 nm were used as photoinducing sources. The investigations were performed for the beta-BTMO microcrystalline powder samples with grain sizes varying within the 25-300 mu m range. We showed that depending on the microcrystallites size, the photoinduced changes of the SHG were substantially different depending on number of defects which were controlled by positron annihilation. The photoinduced SHG efficiency was substantially higher for more defective crystallites. The processes are completely reversible; however, their photoinduced time kinetics is very sensitive to the wavelength of the photoinducing CW laser beam. The possible reasons for the observed differences are discussed within a framework of intrinsic defect trapping levels and their interactions with phonon subsystem

The Investigation of third-order hyperpolarizabilities and susceptibilities of push-pull azobenzene polymers

International audienc

Nonlinear optical properties of selected natural pigments extracted from spinach: Carotenoids

They are report here, for the first time in authors knowledge, results on third order nonlinear optical susceptibilities from a series of natural pigments extracted from spinach. The measurements were performed in-situ at 532 nm wavelength using degenerate four wave mixing technique (DFWM). For comparison third order nonlinear optical susceptibilities of the same pigments were also evaluated using third harmonic generation (THG) set up at 1064 nm. The electronic contribution to the observed properties was also deduced. The measurements were performed on thin films deposited on a thick glass substrate. These pigments were also identified by UV–VIS spectral analysis. All these results were in good agreement with the literature data

Synthesis growth and optical properties of semi organic non linear optical single crystal

A new and efficient semi organic nonlinear optical crystal from the amino acid family has been grown by slow evaporation technique from aqueous solution. The crystals structures were solved by direct methods using SIR92 (WINGX) and refined by a full matrix least-square method using SHELXL97. All this compounds crystallized in noncentrosymetric groups. Second harmonic generation measurements were performed by applying the Kurtz and Perry model, to powder samples of compounds at 1,064 nm