Search results for "Wavenumber"
showing 5 items of 35 documents
Dual Substituent Parameter Modeling of Theoretical, NMR and IR Spectral Data of 5-Substituted Indole-2,3-diones
2002
Correlations of AM1 and PM3 theoretical data, 13C-NMR substituent chemical shifts (13C-SCS) and IR carbonyl group wave numbers [ν(C3â•ÂO)] were studied using dual substituent parameter (DSP) models for 5-substituted indole-2,3-diones. For the C7 atom a reverse substituent effect attributed to extended À-polarization was observed. On the other hand, the DSP approaches for the C3 atom showed normal substituent effects with some contribution of reverse effect supported strongly by 13C-SCS correlations. In the ν(C3â•ÂO) and p(C3â•ÂO) DSP correlations the field effect contribution predominates over the resonance effect, which justifies the using of earlier suggested vibrational cou…
Structural properties of core and surface of silica nanoparticles investigated by Raman spectroscopy
2013
We studied the experimental Raman spectra of various commercial silica nanoparticles of average diameter from 7 to 40 nm and specific surface from 50 to 380 m2/g. We found that the peculiarities of the particles Raman spectra systematically depend on their specific surface. In detail, the peak position of the R band at about 440 cm−1 shifts towards high wavenumbers following an almost linear dependence on the specific surface. Similarly, the amplitudes of the D1 and D2 bands, at about 495 and 605 cm−1, respectively, increase linearly with the same quantity. Our results are interpreted in the frame of the shell model for the nanoparticles clarifying that the network of the core of the nanopa…
Currents reconstruction by means of a new 2D extrapolation matrix
2007
The equivalent currents reconstructed on the surface of an antenna from its far field measurements have a limited resolution. This is because just the visible part of the spectrum, i.e. the inner part of the circle of radius k (the wavenumber), can be obtained with this technique. The zero padding technique is used for improving the precision; however this technique does not improve the resolution and additional methods must be applied. One of the most used is the Gerchberg-Papoulis algorithm. This technique obtains the non visible spectrum from just the visible region and the maximum size of the antenna. The main disadvantage of this algorithm is that, since it is iterative, it takes a lon…
Shape identification in inverse medium scattering problems with a single far-field pattern
2016
Consider time-harmonic acoustic scattering from a bounded penetrable obstacle $D\subset {\mathbb R}^N$ embedded in a homogeneous background medium. The index of refraction characterizing the material inside $D$ is supposed to be Holder continuous near the corners. If $D\subset {\mathbb R}^2$ is a convex polygon, we prove that its shape and location can be uniquely determined by the far-field pattern incited by a single incident wave at a fixed frequency. In dimensions $N \geq 3$, the uniqueness applies to penetrable scatterers of rectangular type with additional assumptions on the smoothness of the contrast. Our arguments are motivated by recent studies on the absence of nonscattering waven…
High Resolution Coherent Raman Spectroscopy: Studies of Molecular Structures
1992
One of the main advantages of the non-linear coherent Raman techniques is the high resolution that can be achieved in rovibrational spectroscopy. Typically an instrumental function of the order of several thousandths of a wavenumber is routinely achieved in SRS or CARS experiments. Since the first recording of the stimulated Raman spectrum of 12CH4 in 1978 [1], numerous studies of molecules have been performed [2–8]. We have built a stimulated Raman experiment in Dijon in which particular attention has been paid to the frequency measurement of the Raman lines [9]. We will describe the application of our experiment to a wide variety of molecules over the last few years: linear molecules, sph…