Shedding light on the structure of a photoinduced transient excimer by time-resolved diffraction

Time-resolved single-crystal diffraction performed with synchrotron radiation shows that the 53(1) micros phosphorescent state, generated in the crystalline phase of trimeric {[3,5-(CF3)(2)Pyrazolate]Cu}(3) molecules by exposure to 355 nm of light at 17 K, is due to the formation of an excimer rather than the shortening of the intramolecular Cu...Cu distances within the trimeric units, or the formation of a continuous chain of interacting molecules. One of the intermolecular Cu...Cu distances contracts by 0.56 Angstroms from 4.018(1) to 3.46(1) Angstroms;, whereas the interplanar spacing of the trimers is reduced by 0.65 Angstroms; from 3.952(1) to 3.33(1) Angstroms. Density-functional theory calculations support the formation of a Cu...Cu bond through the intermetallic transfer of a Cu 3d electron to a molecular orbital with a large 4p contribution on the reacting Cu atoms.     

Molecular dynamics simulations of electrostatic layer-by-layer self-assembly

Electrostatic assembly of multilayered thin films through sequential adsorption of polyions in layer-by-layer fashion utilizes the strong electrostatic attraction between oppositely charged molecules. We perform molecular dynamics simulations of multilayers of flexible polyelectrolytes around a charged spherical particle. Our simulations establish that the charge reversal after each deposition step is a crucial factor for the steady layer growth. The multilayers appear to be nonequilibrium structures.     

Nonlinear BLOCH-wave interaction and bragg scattering in optically induced lattices

We study, both theoretically and experimentally, the Bragg scattering of light in optically induced photonic lattices and reveal the key physical mechanisms which govern the nonlinear self-action of narrow beams under the combined effects of Bragg scattering and wave diffraction, allowing for selecting bands with different effective dispersion.     

Dispersion and current-voltage characteristics of helical polyacetylene single fibers

To study the transport properties of individual helical polyacetylene (PA) fibers, we developed a method to extract a single fiber from tightly entangled ropes of helical PA bulk film. After a few minutes of sonication of a piece of helical PA bulk film in an organic solution containing surfactant, a droplet of solution is deposited on the pre-pattened electrode under argon atmosphere. AFM images show that extracted helical PA fibers are typically 10 mum in length and 100-200 nm in diameter. We found that the helicity of bulk materials is conserved. We present the temperature dependencies of current-voltage characteristics of individual helical PA fibers doped with iodine.     

Molecular cube of Re(II) and Mn(II) that exhibits single-molecule magnetism

A pseudocubic, paramagnetic cluster of ReII and MnII, [{MnCl}4{Re(triphos)(CN)3}4], has been prepared, and its magnetic properties have been investigated. Antiferromagnetic coupling is observed between the "S = 1/2" ReII and S = 5/2 MnII centers resulting in an effective S = 8 ground state. AC susceptibility studies reveal that the molecule is a single-molecule magnet with an effective barrier for magnetization reversal of Ueff = 8.8 cm-1.     

Coherent interactions of terahertz strain solitons and electronic two-level systems in photoexcited ruby

We observe coherent interactions between an ultrashort, longitudinal acoustic soliton train and the 29-cm(-1) electronic transition in photoexcited ruby. Propagation of the strain pulses over millimeter distance through an excited zone reveals striking behavior of the induced electronic population, which has been explained by impulsive excitation of the two-level systems, combined with the nonlinear properties of the solitons in the resonant medium. This opens up new possibilities for coherent manipulation of ultrashort acoustic pulses by local electronic centers.     

Potentiometric and theoretical studies of the carbonate sensors based on 3-bromo-4-hexyl-5-nitrotrifluoroacetophenone

Novel carbonate ionophore, trifluoroacetophenone derivative (TFA) substituted by two acceptor substituents in the phenyl ring (3-bromo-4-hexyl-5-nitrotrifluoroacetophenone), was synthesized. Solvent polymeric membrane sensors based on this ionophore exhibited heightened selectivity to carbonate ions in the presence of the most important interfering anions. A wide range of potentiometric properties were studied and compared with those of sensors based on mono-substituted ionophores. Special attention was paid to pH dependence of sensor responses and to elaboration of appropriate conditions for carbonate analysis. A segmented-sandwich membrane method was applied for determination of the stoichiometry of ionophore-carbonate complexes, which was determined to be 1:3, and apparent complex formation constants which were 14.4 and 13.6 for DOS- and NPOE-plasticized membranes, respectively. Theoretical studies on TFA derivatives by semi-empirical (AM1 and PM3) and ab initio(6-31+G*) methods were performed, considering different types of possible ionophore-ion interactions. The formation of hydrogen bonds between carbonate and hydrated TFA was proved to be much more favourable in terms of energy compared to tetrahedral nucleophilic adducts that earlier were postulated to being formed in the membrane phase. The final conclusion on the mechanism of carbonate sensing by TFA-based solvent polymeric membrane sensors was made on the basis of computational data and detailed analysis of the literature.     

Generation and stability of discrete gap solitons

We analyze stability and generation of discrete gap solitons in weakly coupled optical waveguides. We demonstrate how both stable and unstable solitons can be observed experimentally in the engineered binary waveguide arrays and also reveal a connection between the gap-soliton instabilities and limitations on the mutual beam focusing in periodic photonic structures.     

Spatial optical solitons supported by mutual focusing

We study composite spatial optical solitons supported by two-wave mutual focusing induced by cross-phase modulation in Kerr-like nonlinear media. We find the families of both single- and two-hump solitons and discuss their properties and stability. We also reveal remarkable similarities between recently predicted holographic solitons in photorefractive media and parametric solitons in quadratic nonlinear crystals.     

Interaction-induced decoherence of atomic BLOCH oscillations

We show that the energy spectrum of the Bose-Hubbard model amended by a static field exhibits Wigner-Dyson level statistics. In itself a characteristic signature of quantum chaos, this induces the irreversible decay of Bloch oscillations of cold, interacting atoms loaded into an optical lattice, and provides a Hamiltonian model for interaction-induced decoherence.