977 resultados para Infrared spectral
Resumo:
The optical rotatory features of the beta-structure of the polypeptides in non-aqueous solutions and films cast from these solutions have been investigated. The beta-structure of poly-S-benzyl-L-cysteine, poly-S-carbobenzoxy-L-cysteine and poly-S-benzyl-L-cysteine, poly-S-carbobenzoxy-L-cysteine and poly-O-carbo-bands of their films. The optical rotatory dispersion (ORD) and circular dichroism (CD) spectra of these polypeptides are found to be very similar in both film and solution. In solvents promoting the beta-structure, the polypeptides are characterized by CD troughs in the n-pi* transition region of the peptide chromophore. The ORD spectra are found to be positive in sign throughout the visible and accessible ultraviolet regions and are interpreted in terms of the possible existence of a relatively much larger positive pi-pi* CD bands as compared with the negative n-pi* band. The rotatory data obtained in the non-aqueous solution are compared with those obtained for other poly peptides in aqueous solutions, with respect to the type and extent of beta-structure present.
Resumo:
New complexes of lanthanide perchlorates with di-t-butyl amides of di, tri and tetraglycolic acids have been synthesised. The complexes have the general formula Ln(DiGA)3(ClO4)3; Ln(TriGA)2 (ClO4)3 and Ln(TetGA)2 (C1O4)3, where Ln = La-Yb and Y and DiGA = N,N′, di-t-butyl diglycolamide, TriGA N,N′, di-t-butyl triglycolamide and TetGA = N,N′ di-t-butyl tetraglycolamide, respectively. The complexes have been characterized by analysis, electrolytic conductance, infrared,1H and13C nuclear magnetic resonance and electronic spectral data.Infrared spectra indicate the coordination of all the available ether oxygens and the amide carbonyls in each of the ligands, to the metal ions. IR and conductance data show that the perchlorate groups in all the complexes are ionic.1H and13C NMR data support the IR data regarding the mode of coordination of ligands to the metal ions. Electronic spectral shapes have been interpreted in terms of nine, eight and ten coordination in DiGA, TriGA and TetGA complexes respectively.
Resumo:
Internal vibration modes of bis-(alkylammonium) tetrachlorometallates(II) and the corresponding alkylammonium chlorides have been studied through their phase transitions using infrared spectroscopy. The studies show that the vibrational states of alkylammonium ions change markedly through the phase transitions. Spectra of the analogous tetrabromometallates and alkylammonium bromides also confirm this behaviour. There is appreciable motion of the alkylammonium ions in the high-temperature phases; thus, CH3NH+3 ions are essentially undistorted in these phases. The low-temperature, ordered phases show evidence of stronger hydrogen bonding of the cations and for the presence of C—N torsional modes.
Resumo:
Accurate system planning and performance evaluation requires knowledge of the joint impact of scheduling, interference, and fading. However, current analyses either require costly numerical simulations or make simplifying assumptions that limit the applicability of the results. In this paper, we derive analytical expressions for the spectral efficiency of cellular systems that use either the channel-unaware but fair round robin scheduler or the greedy, channel-aware but unfair maximum signal to interference ratio scheduler. As is the case in real deployments, non-identical co-channel interference at each user, both Rayleigh fading and lognormal shadowing, and limited modulation constellation sizes are accounted for in the analysis. We show that using a simple moment generating function-based lognormal approximation technique and an accurate Gaussian-Q function approximation leads to results that match simulations well. These results are more accurate than erstwhile results that instead used the moment-matching Fenton-Wilkinson approximation method and bounds on the Q function. The spectral efficiency of cellular systems is strongly influenced by the channel scheduler and the small constellation size that is typically used in third generation cellular systems.
Resumo:
The direct infrared (IR) absorption spectrum of benzene dimer formed in a free-jet expansion was recorded in the 3.3 mu m region for the first time. This has led to the observation of the C H stretching fundamental mode nu(13) (B(1u)), which is both IR and Raman forbidden in the monomer. Moreover, the IR forbidden and Raman allowed nu(7) (E(2g)) mode has been observed as well. These two modes were found to be red-shifted along with the IR allowed nu(20) (E(1u)) mode, as previously reported by Erlekam et al. [Erlekam; Frankowski; Meijer; Gert von Helden J. Chem. Phys. 2006, 124, 171101], using ion-dip spectroscopy, contrary to the blue-shift predicted earlier by theoretical studies. The observation of the nu(13) band indicates that the symmetry is reduced in the dimer, confirming the T-shaped structure observed by Erlekam et al. Our experimental results have not provided any direct evidence for the presence of the parallel displaced geometry, the main objective of the present work, as predicted by theoretical calculations.
Resumo:
In this article, the Eringen's nonlocal elasticity theory has been incorporated into classical/local Bernoulli-Euler rod model to capture unique properties of the nanorods under the umbrella of continuum mechanics theory. The spectral finite element (SFE) formulation of nanorods is performed. SFE formulation is carried out and the exact shape functions (frequency dependent) and dynamic stiffness matrix are obtained as function of nonlocal scale parameter. It has been found that the small scale affects the exact shape functions and the elements of the dynamic stiffness matrix. The results presented in this paper can provide useful guidance for the study and design of the next generation of nanodevices that make use of the wave dispersion properties of carbon nanotubes.
Resumo:
In this work, an attempt has been made to evaluate the spatial variation of peak horizontal acceleration (PHA) and spectral acceleration (SA) values at rock level for south India based on the probabilistic seismic hazard analysis (PSHA). These values were estimated by considering the uncertainties involved in magnitude, hypocentral distance and attenuation of seismic waves. Different models were used for the hazard evaluation, and they were combined together using a logic tree approach. For evaluating the seismic hazard, the study area was divided into small grids of size 0.1A degrees A xA 0.1A degrees, and the hazard parameters were calculated at the centre of each of these grid cells by considering all the seismic sources within a radius of 300 km. Rock level PHA values and SA at 1 s corresponding to 10% probability of exceedance in 50 years were evaluated for all the grid points. Maps showing the spatial variation of rock level PHA values and SA at 1 s for the entire south India are presented in this paper. To compare the seismic hazard for some of the important cities, the seismic hazard curves and the uniform hazard response spectrum (UHRS) at rock level with 10% probability of exceedance in 50 years are also presented in this work.