Search results for "absorption spectroscopy"
showing 10 items of 828 documents
(o-Hydroxyphenyl)methylphosphonic Acids: Spectrophotometric determination of their pKavalues and of the deprotonation sequence
1993
UV/VIS Absorption spectra of nitrosubsituted (o-hydroxyphenyl)methylphosphonic acids (o-(phosphonomethyl)phenols) were measured as a function of pH at 25° in 0.1M NaClo4 solutions. Computational treatment of the whole set of optical density data between 200 and 500 nm resulted in the determination of the dissociation constants of these polyacids and also of the individual electronic spectra of all the species involved in the deprotonation sequence. The spectral behavior gives information on the structure of the anions formed and consequently the order of the subsequent deprotonation steps could be deduced. For the (2-hydroxy-3-nitro(or 5-nitro)phenyl)methylphosphonic acid and the 2-hydroxy-…
The importance of vibronic perturbations in ferrocytochrome c spectra: a reevaluation of spectral properties based on low-temperature optical absorpt…
2005
We have measured and analyzed the low-temperature (T=10 K) absorption spectrum of reduced horse heart and yeast cytochrome c. Both spectra show split and asymmetric Q(0) and Q(upsilon) bands. The spectra were first decomposed into the individual split vibronic sidebands assignable to B(1g) (nu15) and A(2g) (nu19, nu21, and nu22) Herzberg-Teller active modes due to their strong intensity in resonance Raman spectra acquired with Q(0) and Q(upsilon) excitations. The measured band splittings and asymmetries cannot be rationalized solely in terms of electronic perturbations of the heme macrocycle. On the contrary, they clearly point to the importance of considering not only electronic perturbati…
Inter- and intramolecular motions in proteins
1992
The use of 57 Fe Mossbauer radiation allows the study of protein crystal dynamics by a time-resolved analysis of X-ray scattering. In myoglobin crystals, the main source of the root mean squared amplitude of motions come from intramolecular protein dynamics. Segments of the size of an α-helix move collectively. Long-range correlated motions give only a minor contribution. Comparison with Mossbauer absorption spectroscopy shows that protein-specific dynamics is frozaen out below 200 K and the lattice dynamics in mainly responsible for the low-temperature behavior
Local dynamics of DNA probed with optical absorption spectroscopy of bound ethidium bromide
1997
We have studied the local dynamics of calf thymus double-helical DNA by means of an "optical labeling" technique. The study has been performed by measuring the visible absorption band of the cationic dye ethidium bromide, both free in solution and bound to DNA, in the temperature interval 360-30 K and in two different solvent conditions. The temperature dependence of the absorption line shape has been analyzed within the framework of the vibronic coupling theory, to extract information on the dynamic properties of the system; comparison of the thermal behavior of the absorption band of free and DNA-bound ethidium bromide gave information on the local dynamics of the double helix in the prox…
Theoretical study of excitation transfer from modified B800 rings of the LH II antenna complex of Rps. acidophila
2002
The recently developed configuration interaction exciton model has been applied to study spectral shifts and B800 to B850 energy transfer rates in a series of modified LH2 light harvesting antenna complexes of the purple bacterium Rhodopseudomonas acidophila. Complexes, where the in vivo B800 bacteriochlorophyll a chromophores are exchanged with different tetrapyrroles including chlorophyll a were studied. Absorption spectra of the modified complexes were simulated by using quantum chemical methods to evaluate site and interaction energies and exciton theory to generate the eigenstates of the chromophore assemblies. Four experimental input parameters: the transition moment of Bchl a, the di…
2p x-ray absorption spectroscopy of 3d transition metal systems
2021
Abstract This review provides an overview of the different methods and computer codes that are used to interpret 2p x-ray absorption spectra of 3d transition metal ions. We first introduce the basic parameters and give an overview of the methods used. We start with the semi-empirical multiplet codes and compare the different codes that are available. A special chapter is devoted to the user friendly interfaces that have been written on the basis of these codes. Next we discuss the first principle codes based on band structure, including a chapter on Density Functional theory based approaches. We also give an overview of the first-principle multiplet codes that start from a cluster calculati…
Radiation processes in oxygen-deficient silica glasses: Is ODC(I) a precursor of E′-center?
2006
Abstract The accumulation of radiation-induced defects under non-destructive X-ray and destructive cathodoexcitation was studied in pure silica KS-4V glasses possessing an absorption band at 7.6 eV. The correspondence between the existence of this band and the creation of the E′-center by radiation was checked. Detection of induced defects was accomplished by measurement of the luminescence during irradiation, post irradiation afterglow or phosphorescence, induced optical absorption, and thermally stimulated luminescence. In all samples, these observed phenomena associated with charge trapping and recombination on the oxygen-deficient luminescence center. Others centers of luminescence were…
The Medium-Depending Fluorescence of Quadrupolar Donor-Acceptor-Donor Substituted Distyrylbenzenes with High Two-Photon Absorption Cross-Sections
2006
ABSTRACT1,4-Distyrylbenzenes with terminal dialkylamino groups and a central 2,5-disubstitution with electron-accepting groups were prepared via twofold Horner-olefination. These chromophores with a quadrupolar donor-acceptor-donor substitution and C2-symmetry absorb in the violet to green region of the visible spectrum exhibit large two-photon-absorption cross-sections when irrdiated in the NIR. Whereas a variation of the solvent polarity only slightly alters the absorption spectra, the fluorescence appears to be highly responsive. Besides a positive solvatochromism, the emission is very sensitive towards protonation. Quenching or appearance of new emitting species depends on the substitut…
Displacement Defect Formation in Complex Oxide Crystals under Irradiation
2000
The work is devoted to an analysis of formation processes of the radiation displacement defects (RDDs) and colour centres (CCs) in complex oxide crystals under irradiation. The calculation results on: the displacement process simulation as well as an analysis of the RDD and CC accumulation kinetics are presented. New experimental results on additional absorption spectra induced by neutron irradiation of LiNbO(3) (LNO) crystals doped with Fe and Cr and YAlO(3) (YAP) crystals doped with Nd and Er as well are presented. Dose dependencies of the additional absorption are compared and their peculiarities are discussed. The obtained results confirm that CCs causing the irradiation induced absorpt…
Irradiation effects on the absorption edge of silica glass
2007
Abstract Vacuum ultraviolet absorption experiments were carried out on a variety of specimens of amorphous silica β-irradiated at different doses from ∼103 to 5 × 106 kGy. Changes in the width of the absorption (Urbach) edge were investigated. These changes strongly depend on the kind of silica considered: in particular the Urbach energy of silica of industrial manufacture increases in the irradiated samples, whereas in sol–gel silica it is poorly influenced by the irradiation. The fictive temperature of the different materials before and after irradiation was also monitored. The changes of the Urbach energy and of the fictive temperature are tentatively discussed considering the disorder d…