The second hyperpolarizability of a molecule, y, mediates a wide range of non-linear optical processes [I] as well as providing a sensitive probe into molecular electronic structure [2] _ Gas-phase electric-fieldinduced second-harmonic generation (ESHG) measurements at present provide the most accurate determinations of the non-resonant y [3-g] _ Measurements have usually been made at a single,...

The phenyl cation has been the subject of special interest since 1942, when it was proposed as an in termediate in the decomposi t ion of the benzene d iazonium ion [ 1 5 ] . The objective of this communica t ion is to discuss the change in the polarizabil i ty, a [6], and second hyperpolar izabi l i ty , y [6] of Q H 5 , resulting f rom geometry variat ions of this cation. In addi t ion these ...

We report the observation of a higher-order frequency shift due to the trapping field in a (87)Sr optical lattice clock. We show that, at the magic wavelength of the lattice, where the first-order term cancels, the higher-order shift will not constitute a limitation to the fractional accuracy of the clock at a level of 10(-18). This result is achieved by operating the clock at very high trappin...

A dmit salt: bis(tetraethylammonium)bis(1,3-dithiole-2-thione-4,5-dithiolato)cadium (CADMIT) was synthesized. The Optical Kerr Effect (OKE) signal of its acetonitrile solution was measured by femtosecond optical Kerr gate technique. Using CS2 OKE signal as reference signal measured under identical conditions, the third-order optical nonlinear susceptibility, , of the sample solution was obtain...

Hyper-Rayleigh scattering (HRS) from liquid nitrobenzene was measured for several combinations of linear polarized incident and scattered light, for a range of scattering angles near 90 degrees . The observations show that the HRS intensity is dominated by the polar transverse collective mode contribution, and support a model where the long range dipole-dipole orientation correlations in a pola...

The molecular structure of 1-azanapthalene-8-ol was calculated by the B3LYP density functional model with 6-31G(d,p) basis set by Gaussian program. The results from natural bond orbital analysis have been analyzed in terms of the hybridization of atoms and the electronic structure of the title molecule. The stability of the molecule arising from hyper conjugative interactions, charge delocaliza...

Measurements of hyper-Rayleigh scattering intensities and polarization ratios are presented for nine small molecules in the gas phase [CH(4), CF(4), CCl(4), N(2)O, NH(3), D(2)O, SO(2), CF(2)Cl(2), and (CH(3))(2)CO]. In four cases [CH(4), CF(4), CCl(4), and N(2)O] all molecular hyperpolarizability tensor components can be determined from the measurements. The results of this experiment are compa...

Interaction between nitrobenzene and silver cluster is investigated using the Density Functional Theory (DFT) at the B3PW91 level of theory. Adsorption causes a variation in the structural parameters. The charge transfer from silver cluster to nitrobenzene is identified from the plot of the molecular electrostatic potential (MEP) surface and natural population analysis (NPA). A marked enhanceme...

The third-order nonlinear optical response of one-dimensional molecular aggregates of arbitrary size is calculated using equations of motion for single-exciton and two-exciton variables. These equations map the system onto the dynamics of N( N + I)/2 coupled nonlinear oscillators, where N is the number of molecules in the aggregate. The scaling of the generalized third-order hyperpolarizability...

The IR and Raman spectra of the title compound have been recorded and analyzed. The harmonic vibrational wavenumbers were calculated theoretically using Gaussian09 software package. Calculations were performed by HF and DFT levels using the standard 6-31G* basis sets. The data obtained from vibrational wavenumber calculations are used to assign vibrational bands found in the IR and Raman spectr...