Filtry
wszystkich: 583
wybranych: 447
Wyniki wyszukiwania dla: EXCITATION, DISSOCIATION, IONISATION, COLLISION SPECTROSCOPY, PHOTOELECTRON SPECTRA, SYNCHROTRON RADIATION
-
Inner-shell fragmentation of molecules into neutral fragments in high-Rydberg states induced by soft X-ray excitation with pulsed-field ionization
PublikacjaIn the present communication, we will show the results of measurements probing the production of neutral high-Rydberg fragments at the K edges of the molecules containing oxygen and nitrogen atoms. The experiments were performed at the Gas Phase beamline of the Elettra synchrotron radiation laboratory (Trieste, Italy), exploiting a combined soft X-ray excitation with pulsed-field ionization and ion time-of-flight (TOF) spectrometry...
-
A general approach to study molecular fragmentation and energy redistribution after an ionizing event
PublikacjaWe propose to combine quantum chemical calculations, statistical mechanical methods, and photoionization and particle collision experiments to unravel the redistribution of internal energy of the furan cation and its dissociation pathways. This approach successfully reproduces the relative intensity of the different fragments as a function of the internal energy of the system in photoelectron–photoion coincidence experiments and...
-
Two-body dissociation of isoxazole following double photoionization – an experimental PEPIPICO and theoretical DFT and MP2 study
PublikacjaThe dissociative double photoionization of isoxazole molecules has been investigated experimentally and theoretically. The experiment has been carried out in the 27.5–36 eV photon energy range using vacuum ultraviolet (VUV) synchrotron radiation excitation combined with ion time-of-flight (TOF) spectrometry and photoelectron–photoion–photoion coincidence (PEPIPICO) technique. Five wellresolved two-body dissociation channels have...
-
Synchrotron radiation photoemission spectroscopy of the oxygen modified CrCl3 surface
PublikacjaWe investigate the experimentally challenging CrCl3 surface by photon energy dependent photoemission (PE). The core and valence electrons after cleavage of a single crystal, either in a ultrahigh vacuum (UHV) or in air, are studied by keeping the samples at 150 1C, aiming at confirming the atomic composition with respect to the expected bulk atomic structure. A common spectroscopic denominator revealed by data is the presence of...
-
Photoelectron spectroscopy of brominated derivative of pyrimidine: 2-bromopyrimidine
PublikacjaIn this study the brominated derivative of pyrimidine, 2-bromopyrimidine, was investigated by photoelectron spectroscopy. Outer valence photoelectron spectra recorded at 21.22, 45 and 100 eV photon energy for this compound are presented. The recorded spectra have a higher resolution than that previously reported in the literature. The bromine 3d and 3p edge photoelectron spectra have also been recorded in a photon impact experiment...
-
Photoelectron and threshold photoelectron valence spectra of pyridine
Publikacja. The pyridine molecule has been examined by the means of photoelectron and threshold photoelectron spectroscopies. Ionization energies were determined for both outer and inner valence orbitals and new adiabatic values were also resolved. Vibronic structure associated with several states was assigned mainly to be due to C–C stretches and ring bends. Additionally a Rydberg state converging to 7b2 state was ascribed. The data shown...
-
Photoelectron spectroscopy of a series of acetate and propionate esters
PublikacjaThe electronic state and photoionization spectroscopy of a series of acetate esters: methyl acetate, isopropyl acetate, butyl acetate and pentyl acetate as well as two propionates: methyl propionate and ethyl propionate, have been determined using vacuum-ultraviolet photoelectron spectroscopy. These experimental investigations are complemented by ab initio calculations. The measured first adiabatic and vertical ionization energies...
-
Measuring radioactive powder samples on the highresolution powder diffraction beamline at the European Synchrotron Radiation Facility
PublikacjaThis laboratory note describes a new sample preparation technique to enable high-resolution powder diffraction experiments at the European Synchrotron Radiation Facility on radioactive samples. The sample preparation involves setting the active material in resin and several layers of encapsulation suitable for measurement at the beamline. This has allowed low-temperature measurements on very small quantities of samples, providing...
-
Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublikacjaThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
-
Impedance Spectra of RC Model as a Result of Testing Pulse Excitation Measurement Method Dataset
PublikacjaThe dataset titled Impedance spectra of RC model as a result of testing pulse excitation measurement method contains the impedance spectrum of an exemplary test RC model obtained using pulse excitation. The dataset allows presentation of the accuracy of the impedance spectroscopy measuring instrument, which uses the pulse excitation method to shorten the time of the whole spectrum acquisition.
-
A study of the photoelectron spectra of α-tetrahydrofurfuryl alcohol over the outer valence energy region (9–25 eV)
PublikacjaPhotoelectron spectra of α-tetrahydrofurfuryl alcohol (THFA) molecules, the threshold spectrum and spectra for constant photoelectron energies, have been measured over the photon energy range 9–25 eV. Analysis of the photoelectron spectra has allowed overlapping photoionization bands to be separated, tentatively assigned and their vertical photoionization energies to be determined. These energies are compared with existing theoretical...
-
Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublikacjaWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
-
Study of the Layer-Type BST Thin Film with X-ray Diffraction and X-ray Photoelectron Spectroscopy
PublikacjaIn the present paper, results of X-ray photoelectron studies of electroceramic thin films of barium strontium titanate, Ba1xSrxTiO3 (BST), composition deposited on stainless-steel substrates are presented. The thin films were prepared by the sol-gel method. A spin-coating deposition of BST layers with different chemical compositions was utilized so the layer-type structure of (0-2) connectivity was formed. After the deposition,...
-
X-ray Photoelectron Spectroscopy of Carboxylic Acids as Corrosion Inhibitors of Aluminium Alloys
PublikacjaThe datasets, titled X-ray Photoelectron Spectroscopy studies of citric acid adsorption on aluminium alloy 5754 in alkaline media and X-ray Photoelectron Spectroscopy studies of various carboxylic acids adsorption on aluminium alloys in alkaline media, contain XPS studies of the corrosion inhibitory action of selected dicarboxylic acids towards commercially available aluminium alloy 5754 in alkaline media at pH=11. These datasets...
-
Optimization of the femtosecond laser impulse for excitation and the Spin-Orbit mediated dissociation in the NaRb Dimer
PublikacjaWe study the dynamics of multiple coupled states under the influence of an arbitrary time-dependent external field to investigate the femtosecond laser-driven excitation and the spin-orbit mediated dissociation in the NaRb dimer. In this process, the dimer is excited from the ground triplet state 1^3Sigma+ to the 1^3Pi state using the femtosecond laser impulse and the spin-orbit coupling between the 1^3Pi and 2^1Sigma+ states results...
-
Selection of excitation signals for high-impedance spectroscopy
PublikacjaA method of fast impedance spectroscopy of technical objects with high impedance (|Zx| > 1 GOhm) is evaluated in this paper. An object is excited with a signal generated by a digital-to-analog converter (DAC) located on the U2531A DAQ module. Response signals proportional to current flowing through and voltage across the measured object are sampled by analog-to-digital converters (ADC) in the DAQ module. The object impedance spectrum...
-
Collision-induced luminescence spectra of pyridine bombarded by 1000 eV He+ cations
PublikacjaHere we show collision-induced luminescence spectra measured for collisions of the He+cations with thearomatic six-membered ring of the pyridine molecule (C5H5N). Distinct emission bands due to the CH(A2Δ→X2Πr;B2Σ+→X2Πr;C2Σ+→X2Πr), CN(B2Σ+→X2Σ+), C2(d3Πg→a3Πu), and NH(A3Π→X3Σ−) transitions, aswell as atomic H, He, and C lines have been observed. Apart from the He atoms, all the emitters arise from thefragmentation of the pyridine...
-
Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublikacjaThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
-
Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublikacjaInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
-
Fast High-Impedance Spectroscopy Method Using SINC Signal Excitation
PublikacjaIn this paper the method of fast impedance spectroscopy of technical objects with high impedance (|Zx| > 1 Gohm) is evaluated by means of simulation and practical experiment. The method is based on excitation of an object with a sinc signal and sampling response signals proportional to current flowing through and voltage across the measured impedance. The object impedance spectrum is obtained with use of continuous Fourier transform...
-
Theoretical interpretation of photoelectron spectra of the iridium neutral atom and anion
Publikacja -
Dipole and Coulomb Forces in Electron Capture Dissociation and Electron Transfer Dissociation Mass Spectroscopy
Publikacja -
Insightful studies of AuCu nanostructures deposited on Ti platform: Effect of rapid thermal annealing on photoelectrochemical activity supported by synchrotron radiation studies
PublikacjaIn this work, we present the influence of annealing atmospheres during rapid thermal annealing (40◦C/s) on nanostructured Ti platforms modified by 10 nm layer of AuCu alloy obtained via magnetron sputtering. The AuCu/Ti platform annealed under hydrogen atmosphere exhibits the best photoelectrochemical activity under visible light, i.e. 27 times higher photocurrent than for pure Ti dimpled platform, and the lowest reflectance with minimum...
-
Convenient identification of desulfoglucosinolates on the basis of mass spectra obtained during liquid chromatography-diode array-electrospray ionisation mass spectrometry analysis: Method verification for sprouts of different Brassicaceae species extracts
PublikacjaOver the past decade, glucosinolates (GLs) present in different tissues of Brassicaceae and their breakdown products, especially isothiocyanates formed after myrosinase catalyzed hydrolysis, have been regarded as not only environment friendly biopesticides for controlling soilborne pathogens, but most importantly as promising anticarcinogenic compounds. For these reasons, the identification and quantitative determination of the...
-
Threshold photoelectron spectra of tetrahydrofuran over the energy range 9-29eV
PublikacjaWykonano pomiary fotoelektronowe widm progowych tetrahydrofuranu C4H8O w zakresie energii fotonów 9-29 eV przy użyciu promieniowania synchrotronowego. Zaobserwowano nowe pasma jonizacyjne w zakresie energii 16-26eV
-
Theoretical interpretations of photoelectron spectra of platinum atom, its cation and anion
Publikacja -
Relativistic calculations of X-ray photoelectron spectra and the accuracy of the IOTC method*
Publikacja -
Valence and ionic lowest-lying electronic states of small esters studied by high resolution vacuum ultraviolet photoabsorption, photoelectron spectroscopy and ab initio calculations
PublikacjaEsters are an important class of oxygenated volatile organic compounds used in food flavorings, perfumes and other cosmetic products. They are present in fruits and pheromones and are emitted to the atmosphere naturally. Esters are also formed in the atmosphere as a product of the oxidation of ethers. Some of them form poly-molecule chains and are used in plastics. Phosphoesters form DNA backbone, while nitroesters are known for...
-
Interactions of protons with furan molecules studied by collision-induced emission spectroscopy at the incident energy range of 50–1000 eV
PublikacjaInvestigations of the ion-molecule reactions provide insight into many fields ranging from the stellar wind interaction with interstellar media, up to medicine and industrial applications. Besides the applications, the understanding of these processes is itself a problem of fundamental importance. Thus, interactions of protons with the gas-phase furan molecules have been investigated for the first time in the energy range of 50–1000...
-
Measuring radioactive powder samples on the high-resolution powder diffraction beamline at the European Synchrotron Radiation Facility
Publikacja -
Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator...
-
Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
-
The X-ray photoelectron spectroscopy of surface composition of aged mixed copper manganese oxide catalysts
Publikacja -
Limonene: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, electron scattering, He(I) photoelectron spectroscopy and ab initio calculations
PublikacjaZbadano limonen metodami spektroskopii absorpcyjnej, elektronowej, fotojonizacyjnej. Wyniki porównano z obliczeniami ab initio. Otrzymano strukturę wibracyjną molekuły.
-
Method using square-pulse excitation for high-impedance spectroscopy of anticorrosion coatings
PublikacjaArtykuł prezentuje metodę spektroskopii impedancyjnej przeznaczonej do diagnostyki powłok antykorozyjnych na obiektach bezpośrednio w terenie. Aby skrócić czas uzyskania widma impedancji (w zakresie od 1 mHz do 1 MHz) do kilku minut, wykorzystano sygnały harmoniczne do pomiaru widma powyżej 10 Hz a impuls prostokątny w dolnym zakresie częstotliwości. Do wyznaczania widma użyto algorytmów DSP odpowiednich do sygnału pobudzenia....
-
Adsorption behavior and corrosion inhibitive characteristics of newly synthesized cyano-benzylidene xanthenes on copper/sodium hydroxide interface: Electrochemical, X-ray photoelectron spectroscopy and theoretical studies
PublikacjaElegant process for synthesis of 3-(7H-dibenzo[c,h]xanthen-7-yl)benzaldehyde (3), as new starting material to create a set of novel xanthene analogues, 2-(3-(7H-dibenzo[c,h]xanthen-7-yl)benzylidene)malononitrile (4), 3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylic acid (5), and Ethyl-3-(3-(7H-dibenzo[c,h]xanthen-7-yl)phenyl)-2-cyanoacrylate (6), was achieved starting with available materials under mild conditions. Various...
-
Validity of impedance spectra obtained by dynamic electrochemical impedance spectroscopy verified by Kramers-Kronig transformation.
PublikacjaArtykuł przedstawia weryfikację wiarygodności widm impedancyjnych otrzymanych za pomocą niedawno wprowadzonej techniki eksperymentalnej - Dynamicznej Elektrochemicznej Spektroskopii Impedancyjnej (Dynamic Electrochemical Impedance Spectroscopy, DEIS). Technika ta zakłada, że badany system jest pseudostacjonarny jeśli czas pomiaru jest odpowiednio krótki. Czas potrzebny na otrzymanie pojedynczego spektrum zależy od długości okna...
-
Dissociative photo-double-ionization of the isoxazole molecules
PublikacjaThe five-membered heterocyclic rings are incorporated into a wide variety of structures that play a vital role in many biochemical processes. In particular, the isoxazole molecule appears in many bioactive compounds due to its unique ring structure that consists of one oxygen atom and one nitrogen atom at adjacent positions. The unique atomic composition and bond arrangement of isoxazole imply its specific electronic properties...
-
X-ray photoelectron spectroscopy, Raman and photoluminescence studies on formation of defects in Cu:ZnO thin films and its role in nonlinear optical features
Publikacja -
Comparison of quenching mechanisms in Gd3Al5−xGaxO12:Ce3+ (x = 3 and 5) garnet phosphors by photocurrent excitation spectroscopy
Publikacja -
H2O˙+ and OH+ reactivity versus furan: experimental low energy absolute cross sections for modeling radiation damage
PublikacjaRadiotherapy is one of the most widespread and efficient strategies to fight malignant tumors. Despite its broad application, the mechanisms of radiation-DNA interaction are still under investigation. Theoretical models to predict the effects of a particular delivered dose are still in their infancy due to the difficulty of simulating a real cell environment, as well as the inclusion of a large variety of secondary processes. This...
-
Evaluating experimental molecular physics studies of radiation damage in DNA*
PublikacjaThe field of Atomic and Molecular Physics (AMP) is a mature field exploring the spectroscopy, excitation, ionisation of atoms and molecules in all three phases. Understanding of the spectroscopy and collisional dynamics of AMP has been fundamental to the development and application of quantum mechanics and is applied across a broad range of disparate disciplines including atmospheric sciences, astrochemistry, combustion and environmental...
-
Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublikacjaFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
-
Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublikacjaThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
-
Neutral Dissociation of Pyridine Evoked by Irradiation of Ionized Atomic and Molecular Hydrogen Beams
PublikacjaThe interactions of ions with molecules and the determination of their dissociation patterns are challenging endeavors of fundamental importance for theoretical and experimental science. In particular, the investigations on bond-breaking and new bond-forming processes triggered by the ionic impact may shed light on the stellar wind interaction with interstellar media, ionic beam irradiations of the living cells, ion-track nanotechnology,...
-
Spectroscopic studies of Nb-doped tricalcium phosphate glass-ceramics prepared by sol-gel method
PublikacjaCalcium-phosphate based glasses and glass-ceramics play a crucial role in the tissue engineering development. Apart from their high biocompatibility and excellent ability to undergo varying degrees of resorbability1, they exhibit relatively high bioactivity and due to that they are commonly used as bone and dental implants. A substantial research effort is devoted to improve calcium-phosphate materials physico-chemical properties...
-
Threshold photoelectron studies of isoxazole over the energy range 9.9-30 eV
PublikacjaThe threshold photoelectron spectrum of the isoxazole molecule, C3H3NO has been measured over the photon energy range 9.9-30 eV with the use of synchrotron radiation. In the 9.9-10.8 eV range, corresponding to photoionization from the highest occupied molecular orbital 3a"(π3), seven well resolved vibrational series have been observed and their modes are tentatively assigned. A strong adiabatic ionization, with an energy of 11.132...
-
Vacuum ultraviolet photoionization and ionic fragmentation of the isoxazole molecules
PublikacjaThe photofragmentation of the isoxazole molecules producing ionized atomic and molecular fragments was investigated in the photon energy range of 9e32 eV, using synchrotron radiation excitation combined with ion time-of-flight spectrometry. Twenty-one well resolved cations were identified in the mass spectra of the isoxazole, and their appearance energies were determined. The yield curves of these cations were obtained in the photon...
-
Charge transfer and formation of complexes in the He+ collisions with the furan molecules
PublikacjaCharge transfer and formation of the collision complexes have been studied experimentally in fragmentation of the furan molecules in collisions with He+ cations. The excited atomic and diatomic fragments of furan have been identified using collision-induced luminescence spectroscopy. Charge transfer ionization of the furan molecules has been observed in production of helium atoms in the excited 1s4d 1D2, 3D1,2,3 states. The fragmentation...
-
Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublikacjaFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...