Search results for "Spectral"
showing 10 items of 3116 documents
The effect of disorder on optical spectra of conjugated polymers
1993
Abstract Using the semi-empirical parametrization of the Pariser-Parr-Pople model we determine the excitonic states in conjugated polymers. The employed parameters correspond to a moderate strength of the long-range Coulomb interaction. In order to take the disorder into account, the nearest-neighbour transfer matrix elements are chosen according to a random distribution. Averaging the results over a large number of chains of 100 sites, which are known to be sufficiently long so that finite-size effects become negligible, we obtain the linear and third-order nonlinear optical susceptibilities. With increasing disorder the linear absorption, the two-photon absorption and the third-harmonic g…
Comparison of spin density calculation methods for various alkyl-substituted 9,10-anthraquinone anion radicals in the solution phase
1996
EPR and ENDOR spectra were recorded for 2-methyl-9,10-anthraquinone (2-methylAQ), 2-ethylAQ, 2-tertbutylAQ and 2,3-dimethylAQ anion radicals in the solution phase. The EPR spectra were simulated with the help of ENDOR data. The experimental isotropic hyperfine coupling constants (IHFCs) were compared with calculated values from semi-empirical INDO, spin-restricted AM1/CI and B3PW91 density-functional methods. The best computational methods for the IHFCs were the semi-empirical AM1/CI method and the B3PW91 density-functional method with a large basis set.
Chapter 2 Single molecule spectroscopy of multichromophoric dendrimers at room and liquid helium temperatures
2004
Publisher Summary This chapter discusses the single molecule spectroscopy of multichromophoric dendrimers at room and liquid helium temperatures. Single molecule spectroscopy has become an important tool for the optical study of the electronic interactions of proximate chromophores as the electronic interactions can be studied without averaging over the properties of an intrinsically heterogeneous ensemble. Single perylenemonoimide (PMI) chromophores are selectively addressed in the frequency domain within spatially isolated multichromophoric dendrimers, which are dispersed in a polymer film. Although the chromophores are interacting, they still can be addressed separately. This feature in …
Photoinduced mass transport in soft materials
2011
The surface relief grating formation in amorphous As2S3 and azo-benzene polymer films strongly depends on the polarization state of recording beams. The surface relief grating formation efficiency of s-s and p-p recording beam combination can be essentially enhanced by additional illumination with orthogonal polarization. It is shown that the direction of mass transport on the film surface is determined by the direction of light electric vector.
X-ray-absorption study of rheniumL3andL1edges inReO3: Multiple-scattering approach
1993
We present ab initio calculations of x-ray-absorption fine structure for the Re L 3 and L 1 edges in crystalline ReO 3 based on an exact curved-wave multiple-scattering approach. Good agreement between theoretical and experimental data has been found for both edges. We show that, as expected, the contribution of multiple-scattering signals from linear chains, like Re-O-Re and O-Re-O, is very large both in the L 3 - and L 1 -edge spectra due to the strong focusing effect caused by the middle atom
Infrared spectroscopy on lead silicate glass
1993
The reflectance spectra of some lead silicate glasses of general formula (PbO)x(SiO2)y have been measured in the infrared frequency range from 50 to 4000 cm−1. The dispersion and absorption spectra in the range 50–2000 cm−1 have been calculated from the reflectance data using the Kramers-Kronig relations. The band at ∼ 135 cm−1 is assigned to the stretching vibration of lead-oxygen bonds. The shoulder band of the silicon-oxygen stretching mode at ∼900 cm−1 shows a weak coupling of those bonds to the Pb2+ modifier. The vibration strength of those bands shows that the number of the Pb2+ modifier increases first up approximately to 50 Mol% with the increase of PbO content and then decreases ra…
Crystallization Behaviour at High Cooling Rates of Two Polypropylenes
1993
Phase distribution of quenched samples of two isotactic polypropylenes, having different molecular weight distributions, was evaluated by a deconvolution procedure of WAXD spectra. The dependence on cooling rate of the two resins shows the low molecular weights rich polymer is characterized by a faster kinetics with an α-monoclinic to mesomorphic transition taking place at higher cooling rates.
Crystallization kinetics in relation to polymer processing
1993
Phase distribution of quenched samples has been determined by a deconvolution procedure of WAXS spectra in a wide range of cooling rates. The informations collected together with isothermal and DSC results provide a very wide set of data on the crystallization kinetics of polymers relevant which covers conditions encountered in most polymer processing operations. They have been compared with predictions of a non-isothermal crystallization model assuming two independent and parallel crystallization processes competing during solidification.
Relationship between structure of drawn polymers and molecular motion
1971
In order to study the relationship between structure and molecular motion, drawn polymers are more suitable than isotropic samples since their morphology can be characterized more easily by quantitative methods such as small angle X-ray scattering (SAXS) and electron microscopy (EM). The effects of changes in morphological structure on molecular motion are demonstrated by comparing the results of the SAXS and EM measurements with the dynamic mechanical behavior of drawn polyethylene. In addition the NMR broad line spectra of these samples were analyzed and the influence of annealing conditions and external stress was investigated.
The influence of mechanical damaging on the lifetime of positrons In ultrahigh-molecular polyethylene
2013
We study the influence of damaging of ultrahigh-molecular polyethylene [(PE-UHMW) Chirulen®1120] applied, among other materials, in the production of hip endoprostheses on the spectra of positrons lifetime in this material. Polyethylene samples were damaged by the impacts, rolling friction, and collisions with metal balls in a planetary mill. The changes in the parameters of the spectra of positrons lifetime related to the annihilation of orthopositronium (o-Ps) were analyzed depending on the mechanical energy transferred to the sample. On the basis of the Eldrup–Tao model, the changes in the radii of voids in which positroniums are formed and annihilated and the changes in the degree of fi…