Search results for "vibrational analysis"
showing 10 items of 12 documents
Vibrational spectra and DFT calculations of PPV-oligomers
2003
The first two members of the p-phenylenevinylene- oligomer family (i. e. 1, 4-distyrylbenzene [DSB] and 4, 4'-distyrylstilbene [DSS]) were synthesized and their infrared and Raman spectra recorded and empirically assigned. Molecular geometries were optimized for the planar point group (C2h) by the density functional theory (DFT) method using the B3LYP functional and 6-31G* basis set. Calculations of vibrational spectra, including intensities, were carried out subsequently using the DFT method with the same basis set and linear scaling was applied. Calculated vibrational wavenumbers are in a fair agreement with our own experimental spectra. In order to explore changes in vibrational dynamics…
Photonic nanopatterns of gold nanostructures indicate the excitation of surface plasmon modes of a wavelength of 50-100 nm by scanning near-field opt…
2003
Scanning near-field optical microscopy images of metal nanostructures taken with the tetrahedral tip (T-tip) show a distribution of dark and bright spots at distances in the order of 25-50 nm. The images are interpreted as photonic nanopatterns defined as calculated scanning near-field optical microscopy images using a dipole serving as a light-emitting scanning near-field optical microscopy probe. Changing from a positive to a negative value of the dielectric function of a sample leads to the partition of one spot into several spots in the photonic nanopatterns, indicating the excitation of surface plasmons of a wavelength in the order of 50-100 nm in metal nanostructures.
Scanning probe microscopies applied to the study of the domain wall in a ferroelectric crystal.
2007
Summary Scanning near-field optical microscopy is capable of measuring the topography and optical signals at the same time. This fact makes this technique a valuable tool in the study of materials at nanometric scale and, in particular, of ferroelectric materials, as it permits the study of their domains structure without the need of chemical etching and, therefore, not damaging the surface (as will be demonstrated later). We have measured the scanning near-field optical microscopy transmission, as well as the topography, of an RbTiOPO4 single crystalline slab, which exhibits two different of macroscopic ferroelectric domains. A chemical selective etching has been performed to distinguish b…
High Resolution Study of the v1 + 2v2 −v2 and 2v2 + v3 − v2 ”Hot” Bands and Ro-Vibrational Re-Analysis of the v1 + v2/v2 + v3/3v3 Poliad of the SO2 M…
2010
The main goal of the present study was to analyse rotational stuctures of two excited vibrational states, (120) and (021). Because both the band, v1+2v2 and 2v2+v3 one are extremally weak, a special efforts were faired to record very weak hot bands, v1+2v2−v2 and 2v2+v3−v2.Both of those bands are located in the region of considerably more stronger combinational bands, v1 + v2 and v2 + v3. On that reason, as the first step of analysis, we made assignments of transitions belonging to these v1 + v2 and v2 + v3 bands. As the result of analysis, we were able to assign three times more transitions to the bands v1 + v2 and v2 + v3 than it was known in the before literature. After "cleaning" the ex…
Vibrational Signature of Water Molecules in Asymmetric Hydrogen Bonding Environments
2013
The O–H stretching vibrational modes of water molecules are sensitive to their local environments. Here, we applied effective normal-mode analysis to isolate contributions of each of the two hydrogen atoms to the vibrational modes ν1 and ν3 of water molecules in the liquid phase. We demonstrate that the decoupling of the two contributions fd and the frequency splitting of the vibrational modes Δω13 are inextricably related to the symmetry of the hydrogen bonding environment. We show that ambient liquid water modeled at the density functional level of theory exhibits the characteristics of an asymmetric environment with an average decoupling of 0.82 and a splitting of 137 inverse centimeters…
Imaging of photonic nanopatterns by scanning near-field optical microscopy
2002
We define photonic nanopatterns of a sample as images recorded by scanning near-field optical microscopy with a locally excited electric dipole as a probe. This photonic nanopattern can be calculated by use of the Green’s dyadic technique. Here, we show that scanning near-field optical microscopy images of well-defined gold triangles taken with the tetrahedral tip as a probe show a close similarity to the photonic nanopattern of this nanostructure with an electric dipole at a distance of 15 nm to the sample and tilted 45° with respect to the scanning plane.
Super-Resolution Scanning Near-Field Optical Microscopy
2007
Scanning near-field optical microscopy (SNOM) is a method to obtain information about the optical properties of a sample at a lateral resolution below the diffraction limit of far-field microscopy. In SNOM, a light source of a dimension which is small compared to the wavelength of light and which is held at a small distance from the sample is scanned across the surface of the sample. The modulation by the sample of the light emitted from the source is recorded as a signal. As a general rule one may say that the size of the source and the distance to the sample limit the resolution of SNOM. A radiating self-emitting point dipole may be regarded as an idealized SNOM source. With such a source…
On the "Expanded" Local Mode Approach and Isotopic Eff ect (CH2D2/CH3D/CHD3) in the Methane Molecule.
2010
Earlier derived, [1] - [3], for the XY2 (C2v) and XY3 (C3v) molecules "expanded local mode model" is applied to the methane-type, XH4, molecules. Value of the ambiguity parameter, sin \_gamma, simple value of all transformation coefficients, l, are obtained for the CH4 molecule. It gives us possibility, on the one hand, 1). to derive simple relations between different spectroscopic parameters (harmonic frequencies, anharmonic parameters and vibrational tetrahedral coefficients, rotational-vibrational and rotational tetrahedral coefficients) of the CH4 molecule, and, on the other hand, 2). on the base of the general isotopic substitution theory (see, e:g:, [4]), to obtain very simple values …
Complexes of HXeY with HX (Y, X = F, Cl, Br, I) : Symmetry-Adapted Perturbation Theory Study and Anharmonic Vibrational Analysis
2023
A comprehensive analysis of the intermolecular interaction energy and anharmonic vibrations of 41 structures of the HXeY· · · HX (X, Y = F, Cl, Br, I) family of noble-gas-compound complexes for all possible combinations of Y and X was conducted. New structures were identified, and their interaction energies were studied by means of symmetry-adapted perturbation theory, up to secondorder corrections: this provided insight into the physical nature of the interaction in the complexes. The energy components were discussed, in connection to anharmonic frequency analysis. The results show that the induction and dispersion corrections were the main driving forces of the interaction, and that their…
<title>Scanning probe microscopy of nanocrystalline iridium oxide thin films</title>
2003
Structural investigations of nanocrystalline iridium oxide thin films, prepared by dc magnetron sputtering technique were performed by scanning probe microscopy (SPM). SPM studies, using both atomic force microscopy (AFM) and scanning tunnelling microscopy (STM), indicate that the thin films are composed of grains with a size of about 20-50 nm. Fine crystallinity and small RMS microroughness of the films, being well below 2 nm, make iridium oxide thin films promising candidates for nanolithographic applications. The possibility to perform nanolithograhpic processes at a scale of less than 150 nm was successfully examined in AFM and STM modes.© (2003) COPYRIGHT SPIE--The International Societ…