Text - Enlighten: Publications
... contributions to the study of molecular systems by X-ray absorption near-edge spectroscopy (XANES).20–25 For the present work, we are interested in the study of the Cu K-edge (Cu1s / valence) for identifying the physical oxidation states of Cu ions bound by ligands from the 2p-elements. In this area ...
... contributions to the study of molecular systems by X-ray absorption near-edge spectroscopy (XANES).20–25 For the present work, we are interested in the study of the Cu K-edge (Cu1s / valence) for identifying the physical oxidation states of Cu ions bound by ligands from the 2p-elements. In this area ...
Resolution-and throughput-enhanced spectroscopy using high
... Figure 1a, shows the image of the dispersed light that is formed on the detector, from which the spectrum is extracted, note that since the size of the input aperture is not limited in the dispersion direction there is an overlap of the spectral features which tends to decrease the spectral resoluti ...
... Figure 1a, shows the image of the dispersed light that is formed on the detector, from which the spectrum is extracted, note that since the size of the input aperture is not limited in the dispersion direction there is an overlap of the spectral features which tends to decrease the spectral resoluti ...
View/Open - Minerva Access
... Gas Phase IR spectroscopy: Vibrational spectra were obtained using a Fourier transform ion cyclotron resonance spectrometer (Bruker 7T FT-ICR) equipped with an ESI source, and coupled with the tuneable IR free-electron laser (FEL) of CLIO (Centre Laser Infrarouge d’Orsay) producing mid-infrared radi ...
... Gas Phase IR spectroscopy: Vibrational spectra were obtained using a Fourier transform ion cyclotron resonance spectrometer (Bruker 7T FT-ICR) equipped with an ESI source, and coupled with the tuneable IR free-electron laser (FEL) of CLIO (Centre Laser Infrarouge d’Orsay) producing mid-infrared radi ...
Ultrafast Internal Conversion of Aromatic Molecules Studied
... to the flight axis and independent of the ionization point [21]. The performance of the acceleration electrodes (aberration etc.) can be further improved by increasing number of electrodes [22,23]. We combined the femtosecond pump-probe method and 2D electron imaging technique to develop time-resolv ...
... to the flight axis and independent of the ionization point [21]. The performance of the acceleration electrodes (aberration etc.) can be further improved by increasing number of electrodes [22,23]. We combined the femtosecond pump-probe method and 2D electron imaging technique to develop time-resolv ...
Quantum chemical methods for high-energy
... For a more detailed descriptions of these procedures, I recommend the review by Schlegel [10]. 2.2 Electron-electron Interactions: Exchange and Correlation One of the most challenging tasks in quantum chemistry is to properly describe the instantaneous interactions between electrons in a molecule. T ...
... For a more detailed descriptions of these procedures, I recommend the review by Schlegel [10]. 2.2 Electron-electron Interactions: Exchange and Correlation One of the most challenging tasks in quantum chemistry is to properly describe the instantaneous interactions between electrons in a molecule. T ...
Why random potentials?
... Gaussian distribution at strong disorder, atoms classically localized in randomly spaced speckle wells. frequency shift of the quadrupole mode uncorrelated to a frequency shift in the dipole mode due to anharmonic speckle potential. ...
... Gaussian distribution at strong disorder, atoms classically localized in randomly spaced speckle wells. frequency shift of the quadrupole mode uncorrelated to a frequency shift in the dipole mode due to anharmonic speckle potential. ...
Implementing the Theory of Sum Frequency Generation Vibrational
... at a planar interface between two bulk phases. A co-ordinate system which follows the right-hand convention (i.e., rotation of a right-handed screw from x to y producing translation in the positive z direction) is adopted and is illustrated in Fig. 1. It should be noted that a variety of axis system ...
... at a planar interface between two bulk phases. A co-ordinate system which follows the right-hand convention (i.e., rotation of a right-handed screw from x to y producing translation in the positive z direction) is adopted and is illustrated in Fig. 1. It should be noted that a variety of axis system ...
Oxidation - Reduction Chemistry
... Rules for assigning oxidation numbers 1. All elements in their free state (uncombined with other elements) have an oxidation number of zero (e.g., Na, Cu, Mg, H2, O2, Cl2, etc.) 2. H is +1, except in metal hydrides, where it is -1 (e.g., NaH, CaH2) 3. O is -2, except in peroxides, where it is -1, a ...
... Rules for assigning oxidation numbers 1. All elements in their free state (uncombined with other elements) have an oxidation number of zero (e.g., Na, Cu, Mg, H2, O2, Cl2, etc.) 2. H is +1, except in metal hydrides, where it is -1 (e.g., NaH, CaH2) 3. O is -2, except in peroxides, where it is -1, a ...
Decay of oriented Rydberg wave packets excited with far-infrared radiation
... blue Stark state B. The far-infrared laser wavelength is tuned to the resonances as shown in Fig. 3~a!. In the right column the electron emission transients are shown from the initial state given by the red Stark state ~state A in Fig. 1!. In both cases the far-infrared radiation is polarized perpen ...
... blue Stark state B. The far-infrared laser wavelength is tuned to the resonances as shown in Fig. 3~a!. In the right column the electron emission transients are shown from the initial state given by the red Stark state ~state A in Fig. 1!. In both cases the far-infrared radiation is polarized perpen ...
1/2
... • Neglect of collective deformation, vibration, rotation • Same potential for all the nucleons and for all the configurations • Independent particles •Improved shell model (currently used): The particles are not independent : due to their interactions with the other particles they do not occupy a gi ...
... • Neglect of collective deformation, vibration, rotation • Same potential for all the nucleons and for all the configurations • Independent particles •Improved shell model (currently used): The particles are not independent : due to their interactions with the other particles they do not occupy a gi ...
Structural and Functional Characterization of Luminescent Silver
... transitions in these metal NCs.17 The electronic transition in these Ag NCs leading to luminescence is attributed to the recombination of the excited electrons from higher excited states in the sp band with the holes in the lower-lying d band (interband transition). It is well-known that the sodium ...
... transitions in these metal NCs.17 The electronic transition in these Ag NCs leading to luminescence is attributed to the recombination of the excited electrons from higher excited states in the sp band with the holes in the lower-lying d band (interband transition). It is well-known that the sodium ...
Level shifts of rubidium Rydberg states due to binary interactions
... limitation of the sum in Eq. 共3兲 does not change the calculated van der Waals shifts by more than about 1%. By restricting the sum in the described way, we find that typically of the order of hundreds of two-particle states 兩n⬘ , ᐉ⬘ , j⬘ , m⬘j 典 丢 兩n⬙ , ᐉ⬙ , j⬙ , m⬙j 典 still contribute, although the ...
... limitation of the sum in Eq. 共3兲 does not change the calculated van der Waals shifts by more than about 1%. By restricting the sum in the described way, we find that typically of the order of hundreds of two-particle states 兩n⬘ , ᐉ⬘ , j⬘ , m⬘j 典 丢 兩n⬙ , ᐉ⬙ , j⬙ , m⬙j 典 still contribute, although the ...
In Situ Vanadium K-Edge and Tungsten LIII-Edge X
... and H3PW12O40 were prepared and purified according to the procedures outlined in refs 9 and 10, respectively, and subsequently characterized by IR and UV-visible spectroscopy and cyclic voltammetry. Electrode Preparation. a. In situ XAFS. For these experiments, the polyoxometalates, i.e. K4PVW11O40, ...
... and H3PW12O40 were prepared and purified according to the procedures outlined in refs 9 and 10, respectively, and subsequently characterized by IR and UV-visible spectroscopy and cyclic voltammetry. Electrode Preparation. a. In situ XAFS. For these experiments, the polyoxometalates, i.e. K4PVW11O40, ...
Comparison of electronic structures of mass
... the widths and positions of the peaks. Only when the num- will lead to the lower heterogeneity of the chemical environber of clusters deposited increases from 4 x 10 12 to 8 X 10 12 ment of Ag atoms in a cluster. In addition, the broadening (the highest Ag coverage in Fig. 1), the Ag 3d state be- of ...
... the widths and positions of the peaks. Only when the num- will lead to the lower heterogeneity of the chemical environber of clusters deposited increases from 4 x 10 12 to 8 X 10 12 ment of Ag atoms in a cluster. In addition, the broadening (the highest Ag coverage in Fig. 1), the Ag 3d state be- of ...
Chemical Bonding in the Ternary Transition Metal Bismuthides
... if we bear in mind that the covalent radius of bismuth is 153 pm.17 Below -15 eV we find a Bi(s)-Bi(s) bonding region, immediately followed by the Bi(s)-Bi(s) antibonding one. The same “S-shape pattern” is observed for the Bi(p) orbitals starting above the band gap at -11.3 eV. Such “S-shape pattern ...
... if we bear in mind that the covalent radius of bismuth is 153 pm.17 Below -15 eV we find a Bi(s)-Bi(s) bonding region, immediately followed by the Bi(s)-Bi(s) antibonding one. The same “S-shape pattern” is observed for the Bi(p) orbitals starting above the band gap at -11.3 eV. Such “S-shape pattern ...
Magnetic, optical, and magneto-optical properties of MnX „X As, Sb
... The magneto-optic ~MO! Kerr and Faraday spectra for manganese pnictides are calculated using the all electron, relativistic, full-potential linear muffin-tin orbital method. The amplitude of our calculated spectra are found to be in good agreement with corresponding experimental spectra. Although th ...
... The magneto-optic ~MO! Kerr and Faraday spectra for manganese pnictides are calculated using the all electron, relativistic, full-potential linear muffin-tin orbital method. The amplitude of our calculated spectra are found to be in good agreement with corresponding experimental spectra. Although th ...
Effect of varying electric potential on surface
... Fig. 6. In this case the magnitude of the 0.031-deg SPR shift is much smaller than the 0.158-deg shift observed when the voltage exceeded the oxidation potential 共Fig. 2兲. The same effect takes place for the 0.5-mM aqueous solution of NaCl. When we varied the applied voltage from ⫺0.8 to ⫹0.8 V, the ...
... Fig. 6. In this case the magnitude of the 0.031-deg SPR shift is much smaller than the 0.158-deg shift observed when the voltage exceeded the oxidation potential 共Fig. 2兲. The same effect takes place for the 0.5-mM aqueous solution of NaCl. When we varied the applied voltage from ⫺0.8 to ⫹0.8 V, the ...
"Fundamentals of Rotation--Vibration Spectra" in
... form, there are consequently no simple analytical expressions available for the energy levels or rovibrational term values except for model potentials. Thus, in practical spectroscopy, one uses approximations leading to simple formulae for the term values, which can be expressed by tables of constan ...
... form, there are consequently no simple analytical expressions available for the energy levels or rovibrational term values except for model potentials. Thus, in practical spectroscopy, one uses approximations leading to simple formulae for the term values, which can be expressed by tables of constan ...
Laplacian-level density functionals for the kinetic energy density and
... accurately by the meta-GGA, as we can see in Fig. 7. Near r = 1, where p ≃ 0 and q ≃ −0.495, the KED meta-GGA recovers the exact behavior. Figs. 7 and 8 show how our τ MGGA can sometimes fail to recognize iso-orbital regions where τ = τ W . For the 2e− jellium cluster between r = 0.1 and r = 1, wher ...
... accurately by the meta-GGA, as we can see in Fig. 7. Near r = 1, where p ≃ 0 and q ≃ −0.495, the KED meta-GGA recovers the exact behavior. Figs. 7 and 8 show how our τ MGGA can sometimes fail to recognize iso-orbital regions where τ = τ W . For the 2e− jellium cluster between r = 0.1 and r = 1, wher ...
Absorption of low-loss optical materials measured at 1064 nm by a
... coming from the pump laser. We calculated that this offset was created by 2 nW of Nd:YAG radiation striking one quadrant of the detector 共of a total of 12 W incident upon the sample兲. To evaluate signal amplitude, we first measure our 100-ppm兾cm standard and fit the signal voltage over the dc voltag ...
... coming from the pump laser. We calculated that this offset was created by 2 nW of Nd:YAG radiation striking one quadrant of the detector 共of a total of 12 W incident upon the sample兲. To evaluate signal amplitude, we first measure our 100-ppm兾cm standard and fit the signal voltage over the dc voltag ...
in: Dalton Transactions 39 (2010), 34, pp. 8000-8011, DOI: 10.1039/C0DT00164C
... redox potentials and the EPR, IR and Vis/NIR signatures of the oxidized radical cations and is correctly reproduced by quantum chemical investigations. Our results indicate that the trifluoropropenyl complex 3b has an inverse FMO level ordering (Rul-bridge-Ru2 > terminal vinyl-Rul site) when compare ...
... redox potentials and the EPR, IR and Vis/NIR signatures of the oxidized radical cations and is correctly reproduced by quantum chemical investigations. Our results indicate that the trifluoropropenyl complex 3b has an inverse FMO level ordering (Rul-bridge-Ru2 > terminal vinyl-Rul site) when compare ...
Get PDF - OSA Publishing
... proposed and numerically investigated. Distinct from previously studied absorbers, it could absorb light incident from both sides of the surface through an ultrathin three-layer metal-insulator-metal nanostructure. Patterned metal particles are adopted instead of metal films in this absorber. It sho ...
... proposed and numerically investigated. Distinct from previously studied absorbers, it could absorb light incident from both sides of the surface through an ultrathin three-layer metal-insulator-metal nanostructure. Patterned metal particles are adopted instead of metal films in this absorber. It sho ...
Mössbauer spectroscopy
Mössbauer spectroscopy is a spectroscopic technique based on the Mössbauer effect. This effect, discovered by Rudolf Mössbauer in 1957, consists in the recoil-free, resonant absorption and emission of gamma rays in solids.Like NMR spectroscopy, Mössbauer spectroscopy probes tiny changes in the energy levels of an atomic nucleus in response to its environment. Typically, three types of nuclear interactions may be observed: an isomeric shift, also known as a chemical shift; quadrupole splitting; and magnetic or hyperfine splitting, also known as the Zeeman effect. Due to the high energy and extremely narrow line widths of gamma rays, Mössbauer spectroscopy is a very sensitive technique in terms of energy (and hence frequency) resolution, capable of detecting change in just a few parts per 1011.