Search results for "Polarizability"
showing 10 items of 240 documents
Optical Field-Induced Mass Transport in Soft Materials
2013
Abstract The dependence of the surface relief formation in amorphous chalcogenide (As 2 S 3 and As-S-Se) and Disperse Red 1 dye grafted polyurethane polymer films on the polarization state of holographic recording light beams was studied. It is shown that the direction of lateral mass transport on the film surface is determined by the direction of light electric vector and photoinduced anisotropy in the film. We propose a photoinduced dielectropfhoretic model to explain the photoinduced mass transport in amorphous films. Model is based on the photoinduced softening of the matrix, formation of defects with enhanced or decreased polarizability, and their drift under the electrical field gradi…
Electron crystallography and organic materials with non-linear optical properties
1999
Results of electron microscopic studies of crystal structures of a number of bis-benzylidene cyclohexanones are presented. It is shown that some of these compounds are efficient crystalline non-linear optically active (NLO) chromophores with second harmonic generation (SHG) properties. Appropriately functionalized chromophores of this type can be used as a polycondensation comonomer to produce partly crystalline main-chain NLO-active polymers. Electron diffraction crystal structural data, obtained for very small crystals, allowed us to get reasonable estimations of macroscopic crystal NLO-coefficients, relating quantum-chemically calculated molecular first hyperpolarizability components to …
Synthesis, crystal structures, and solid state quadratic nonlinear optical properties of a series of stilbazolium cations combined with gold cyanide …
2011
Three salts built up from (E)-4′-(dimethylamino)-stilbazolium (DMAS)H+, (E)-4′-(diethylamino)-stilbazolium (DEAS)H+, (E)-4′-{2-(methoxymethyl) pyrrolidinyl}-stilbazolium (MPS)H+, and gold cyanide as a counter-ion, are reported. The crystal structures have been solved for (DEAS)H+ Au(CN)2− (Cc space group), and for (MPS)H+ Au(CN)2− (P1 space group). The semi-empirical (ZINDO) calculated static hyperpolarizability (β0) of (MPS)H+ is equal to 147 × 10−30 cm5esu−1, in solid state, which is 25% higher than that of the cation of the well known (E)-4′-(dimethylamino)-methylstilbazolium tosylate (DAST). (MPS)H+ Au(CN)2− exhibits a unique crystal structure in which the cations are perfectly aligned.…
Synthesis, molecular structure, spectroscopic properties and stability of (Z)-N-methyl-C-2,4,6-trimethylphenylnitrone.
2015
Abstract New N-methyl-C-2,4,6-trimethylphenylnitrone 1 has been synthesized starting from N-methylhydroxylamine and mesitaldehyde. The product was fully characterized using different spectroscopic techniques; FTIR, NMR, UV–Vis, high resolution mass spectrometry and X-ray diffraction. The relative stability and percent of population of its two possible isomers (E and Z) were calculated using the B3LYP/6-311++G(d,p) method in gas phase and in solution. In agreement with the X-ray results, it was found that Z-isomer is the most stable one in both gas phase and solution. The molecular geometry, vibrational frequencies, gauge-including atomic orbital (GIAO), and chemical shift values were also c…
<title>Nonlinear optical properties of some indandione-1,3 pyridinium betaine derivatives</title>
1997
In this paper nonlinear optical properties of indandione-1,3 pyridinium betaine (IPB) molecule and its novel amphiphilic derivatives have been studied. Hyper-Rayleigh scattering (HRS) has been used as a direct and accurate tool to determine effective hyperpolarizability (beta) of IPB derivatives dissolved in chloroform. Evaluation of hyperpolarizability gives an averaged values of (beta) from 140 multiplied by 10-30 to 450 multiplied by 10-30 esu. Disordering of molecular orientation for multilayer Langmuir-Blodgett films of compound C17-IPB has been studied by SHG techniques and discussed for different film thickness. It has been observed that orientation degree of the Z-type molecular str…
ChemInform Abstract: Preparation and Nonlinear Optics of Monodisperse Oligo(1,4-phenyleneethynylene)s.
2010
Oligo(1,4-phenyleneethynylene)s 1a−e, with solubilizing propoxy side chains, were prepared by use of Hagihara−Sonogashira coupling reactions. The synthetic strategy was based on a building block system and on the use of trimethylsilyl and triisopropylsilyl protecting groups that could be cleaved selectively. The extension of the conjugation with an increasing number of repeat units provokes a bathochromic shift of the long wavelength absorption and a superlinear increase of the second hyperpolarizability |γ|. The corresponding third harmonic generation (THG) measurements were performed using polystyrene matrices and variable laser wavelengths. We conclude that the conjugation length is much…
Effect of structural parameters on the polarizabilities of methanol clusters: a hirshfeld study
2008
The polarizabilities of fifty methanol clusters (CH3OH)n, n = 1 to 12, were calculated at the B3LYP/6-311++G** level of theory and partitioned into molecular contributions using the Hirshfeld-I method. The resulting molecular polarizabilities were found to be determined by the polarizabilities of the two parts of the molecule, the hydrophilic hydroxyl group and the hydrophobic methyl group, each exhibiting a different dependency upon the local environment. The polarizability of the hydroxyl group was found to be dependent on the number, type, and strength of the hydrogen bonds a methanol molecule makes, whereas the polarizability of the methyl groups is mostly influenced by sterical hindran…
Resonance in Interacting Induced-Dipole Polarizing Force Fields: Application to Force-Field Derivatives
2009
The Silberstein model of the molecular polarizability of diatomic molecules, generalized by Applequist et al. for polyatomic molecules, is analyzed. The atoms are regarded as isotropically polarizable points located at their nuclei, interacting via the fields of their induced dipoles. The use of additive values for atom polarizabilities gives poor results, in some cases leading to artificial predictions of absorption bands. The molecular polarizability of methane and its derivative are computed. The agreement with experimental mean molecular polarizabilities is within 1–5%. A hypothesis is indispensable for a suitable representation of polarizability derivative.
Electronic polarizability of small metal spheres
1985
We present the results of calculations for the ground-state electron structure, static polarizability, and dynamic response of small metal (jellium) spheres in vacuum or embedded in a dielectric. Fully self-consistent time-dependent density-functional methods are used. In particular, the static and dynamic responses to an incident electric field (dipolar polarizability and photoabsorption) are obtained. The results show substantial deviations from either classical or approximate quantum-mechanical solutions, and provide reference data for simplified treatments. Peer reviewed
Temperature measurement in gas mixtures by femtosecond Raman-induced polarization spectroscopy
2003
European Conference on Nonlinear Optical Spectroscopy (ECONOS) MAR 30-APR 01, 2003 BESANCON, FRANCE; The potential of femtosecond Raman-induced polarization spectroscopy (RIPS) for the simultaneous determination of temperature and concentrations was investigated. These measurements were related to the rotational time response of the molecular gas mixture, which was measured as a function of the pump-probe time delay. The change of the polarizability anisotropy with respect to the vibrational levels was taken into account. The results of temperature measurements in pure CO2 showed good agreement with the values obtained by a thermocouple. The RIPS technique was also applied to a CO2-N2 gas m…