Anisotropic relaxation time T′2 of solid 3He

This paper investigates an anisotropy of the adiabatic relaxation time T ₂′ for single crystalline bcc ³He. No difference in the calculation of T ₁(0) was revealed between the nearest-neighbor anti-ferromagnetic Heisenberg model and the multiple exchange model. However, we may distinguish these two models by the anisotropy of the adiabatic relaxation time T ₂′. The results presented in this paper are compared with experimental observations.     

Spectroscopic Study on the Photophysical Properties of Lanthanide Complexes with 2, 2′-Bipyridine-N, N′-dioxide

Five novel lanthanide (Eu3+, Tb3+, Gd3+, Sm3+ and Dy3+) complexes with 2, 2'-bipyridine-N, N'-dioxide (bipyO2) were synthesized and characterized by elemental analysis, IR spectrum. The triplet state energy of bipy O2 was determined to be 22275 cm(-1) with the phosphorescence spectrum of bipy O2 and its gadolinium complex. The photophysical properties of these complexes indicated that the triplet state energy of the ligand is suitable for the sensitization of the luminescence of Eu3+, Tb3+, Sm3+ and Dy3+, especially of Tb3+.     

Calculated conversion rate of E′4 centers into E′2 centers in alpha quartz

Recent cluster calculations by Rudha et al. [1] are used to obtain a pseudo-Jahn-Teller adiabatic energy profile for the interconversion between E′₄ centers and E′₂ centers based on the structural models proposed therein. Reasonable values are obtained for the underlying parameters which lends some further support to the models. A reaction rate method is next used to compute the temperature dependence of the conversion rate in either direction, as well as of the rate for reorientational flopping of Fowler's E′₁ center. Thermally-activated tunneling is found to be the main factor controlling the conversions in most of the temperature range of any practical interest.     

EPR study of gamma-irradiated 2-Bromo-4′-methoxyacetophenone single crystals

The gamma-irradiated single crystals of 2-Bromo-4′-methoxyaceto-phenone (2B4MA) were investigated using electron paramagnetic resonance (EPR) technique. Density-functional theory calculations were employed to investigate and identify the radicals that have been assumed to be formed upon irradiation of 2B4MA single crystals. The EPR spectra of 2B4MA were recorded at different orientations in the magnetic field at room temperature. Taking into account the chemical structure and experimental spectra of irradiated single crystal of 2B4MA, it was assumed that at least two different radicals were produced in the sample. Following this assumption, six possible radicals were modeled and EPR parameters were calculated by using the DFT, B3LYP/6-311+G(d), for the modeled radicals individually. The calculated hyperfine coupling constants and g-tensors were used as initial values for simulation studies. The three crystallographic axes on the simulated spectra were well matched with experimental spectra for the two modeled radicals. Thus, we identified the R1 type radical and R4 type radical as paramagnetic species produced in gamma-irradiated 2B4MA.     

Low-temperature synthesis of T′-La2CuO4 using CaH2 as reductant

We have successfully synthesized polycrystalline bulk samples of La₂CuO₄ with the Nd₂CuO₄-type (T′) structure at low temperatures. First of all, La₂CuO₄ with the K₂NiF₄-type (T) structure was prepared by the conventional solid-state reaction. Secondly, La₂CuO_3.5+δ with the Sr₂CuO₃-type structure was obtained by heating mixed powder of T-La₂CuO₄ and CaH₂ at 175 °C in an evacuated Pyrex tube. Thirdly, T′-La₂CuO_4+δ was prepared by heating La₂CuO_3.5+δ at 250 °C in air. Finally, T′-La₂CuO_4+δ was reduced using CaH₂ to remove excess oxygen. The powder X-ray diffraction pattern has revealed that the product is of the single phase of T′-La₂CuO₄, but no superconductivity has been observed at T > 2 K in the magnetic susceptibility measurement. The residual excess oxygen may suppress the appearance of superconductivity.     

XY theoritical phase diagrams of the thiospinels AB2xB′2−2xS4

Randomly diluted frustrated helimagnetic and ferromagnetic systems with spinel structure, ZnCr_2xAl_2−2xS₄ and CdCr_2xln_2−2xS₄, respectively, were studied in the framework of the XY model. Using the replica method, the variational principle and taking into account exchange integrals up to the fourth nearest neighbour (nn), J₄ in the case of HM and up to the second (nn) J₂ in the case of FM, the T vs. x magnetic phase diagrams were established. The dramatic effect of frustration is evidenced, which leads to the disappearance of long-range order and the appearance of spin-glass state for great dilution. The obtained results are in agreement with those obtained by magnetic measurements.     

Determination of the chemical shift of the 1′ proton of cytidine 2′-phosphate in the presence and absence of RNase via phosphorus-31 detection of proton-proton decoupling

The investigation of the conformations of cellular phosphates in solution typically relies on the interpretation of the chemical shifts and scalar couplings of protons. In many cases of potential interest, such as the binding of cellular phosphates to enzymes, the proton signals are obscured by those of the enzyme. A partial solution to this problem is given by heteronuclear two-dimensional magnetic resonance which allows the determination of proton spectral information via phosphorus-31 detection. The two-dimensional approach bypasses the inability to determine proton spectral information that is obscured in a conventional experiment but is typically limited to reporting only on those protons which are scalar coupled to the phosphorus-31 nucleus. Chemical shift information about an additional group of protons, those coupled to the protons coupled to the phosphorus-31 nucleus, can be determined by phosphorus-31 detection of proton-proton decoupling. This indirect approach observes the effect of proton-proton decoupling on heteronuclear population transfer. The method is used to determine the chemical shift of the 1′ proton of cytidine 2′-phosphate in the presence and absence of RNase.     

Relativistic many-body calculations of E1, E2, M1, and M2 transitions rates for the 1 s 2 l′ 2 l′ ′ – 1 s 2 2 l lines in Li-like ions

Reduced matrix elements, oscillator strengths, and transition rates are calculated for all allowed and forbidden 1s2l′ 2l′ ′ – 1s ²2l electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transitions in lithiumlike ions with nuclear charges ranging from Z?=?6 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1, M1, E2, and M2 matrix elements. The calculations start with a Dirac potential and include all possible 1s2l′ 2l′ ′ configurations, leading to seven odd-parity and nine even-parity states. First-order perturbation theory is used to obtain intermediate coupling coefficients. Second-order RMBPT is used to determine the matrix elements, which are evaluated for the 22, 20, 16, and 18 possible E1, M1, E2, and M2 transitions, respectively. A detailed discussion of the various contributions to the energy levels and E1, M1, E2, and M2 matrix elements is given for lithiumlike iron, Z?=?26. The transition energies used in the calculation of oscillator strengths and transition rates are evaluated using second-order RMBPT. Trends of E1, M1, E2, and M2 transition rates as functions of nuclear charge Z are shown graphically for 1s2l′ 2l′ ′ – 1s ²2l transitions.     

NMR and Structural and Conformational Features of 2′-Hydroxychalcones and Flavones

New 2′-hydroxychalcone and flavone derivatives have been synthesised. Their [¹H] and [¹³C] NMR spectra were assigned by the application of COSY and HETCOR experiments and allowed the discussion of some structural aspects. It was shown on the basis of NOE experiments some configurational and conformational features of both type of compounds.     

Lifetimes of rovibrational levels of the long-range I′ 1Πg state of H2 and D2: experiment and theory

The lifetimes of the lowest lying rovibrational levels of the outer well I′ ¹Π_g state of molecular hydrogen were measured for both H₂ and D₂. The measurements were made by direct observation of the time-dependent decay of the fluorescence. The observed lifetimes depend on isotopomer and increase with vibrational excitation. The predominant decay route for these levels is fluorescence. Previously published ab initio lifetimes calculated for these states, which accounted for non-adiabatic interactions [J. Chem. Phys. 92, 7461 (1990)], are in good agreement with experiment for H₂ but are too long by four or five orders of magnitude for D₂. We present new ab initio results at the adiabatic level for the fluorescence lifetimes. The current results are in reasonable agreement with the experimental lifetimes for both H₂ and D₂. We explain the isotopomer and vibrational dependence of the lifetimes and discuss the neglected interactions and decay pathways.     

Hyperfine Parameters of η′-Cu6Sn5 and Li2CuSn

Hyperfine Interactions - η′-Cu6Sn5, a suggested anode material in Li-ion batteries, has been studied by 119Sn Mössbauer spectroscopy together with the lithiated phase Li2CuSn....     

Observation of the decaya 2 − (1320)→π − η′

The reaction ^– C ^– C has been studied at 36 GeV/c. A clear signal for the decaya ₂ ^– (1320) ^– · is observed in the ^– mass spectrum. The measured ratio of branchings is BR (a ₂ ^{– –} )/BR(a ₂ ^{– –} );(3.4±0.8±0.5)·10^–2.     

Two Dimensional 1HNMR Studies on 2′5′-Dideoxyadenosylcobalamin

The ¹HNMR spectrum of 2′,5′-dideoxyadenosylcobalamin, a Coenzyme B₁₂(5′-deoxyadenosylcobalamin) analogue, has been assigned by 2D COSY. Its proton coupling constants have also been measured by J-resolved experiment. The comparison between the analogue and Coenzyme B¹² was made.     

The decays of theρ′1 andω′1 mesons

New measurements of the reactione ⁺ e ^– confirm previous evidence for the decay₁ and provide a strong constraint on the mass of the₁. The results from a detailed analysis of these data are compared with those from a corresponding analysis of new data on the reactione ⁺ e ^–. It is shown that in accord with expectation. This identification of a strong₁ decay supports a previous claim that the₁ and theC(1480), observed in the channel, cannot be different manifestations of the same particle.     

Simulation of BEPCⅡ′s BPM

Considering the effect of photoelectron, BEPCⅡ′s beam position monitor (BPM) uses antechamber structure. The cut-off frequency of TE mode is maybe lower than the BPM signal processing frequency 500MHz. The power of TE mode will result in beam position measurement error. With monitoring the antechamber's TE mode power amplitude and calculating the transmission of TE mode power to BPM's electrodes, we can calculate the error of position measurement caused by TE mode. We found that the error is beyond the acceptance when the cut-off frequency of TE₁₀ mode is lower than 500MHz. By changing the slot length, the cut-off frequency is higher than 500MHz and the error could be accepted. At last the effect of the wakefield to the beam has been simulated and the longitudinal impedance of wakefield has been calculated.     

Photoelectric Characteristics of Composite Carbazole Polymerfilms Containing 1,8-Naphthoylene-1′,2′-Benzimidazole

The electric conduction and photoconduction of sandwich-type poly-N-epoxypropylcarbazole (PEPC) and 3,6-di-Br-poly-N-epoxypropylcarbazole (3,6-di-Br-PEPC) films containing 33 wt.% of the dye 1,8-naphthoylene-1′, 2′-benzimidazole (NBI) have been investigated. It has been established that the PEPC films, as compared to the 3,6-di-Br-PEPC films, have a higher electric conduction and a lower photosensitivity and an electric field exerts a stronger quenching effect on the photoluminescence of the first-mentioned films. Analysis of the voltampere and lux-ampere characteristics and the kinetics of electric conduction of these films has shown that the space charge and recombination via dye molecules in them influence their electric conduction and photoconduction. The volume recombination of charges is radiative in character. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 72, No. 5, pp. 627–631, September–October, 2005.     

Peculiarities of the SEHRS spectrum of 4,4′-bipyridine molecule

The SEHRS spectrum of 4,4′-bipyridine is analyzed on the base of the Dipole-Quadrupole theory. It is demonstrated that there appear strong lines caused by vibrations transforming after the unit irreducible representation of the D₂ symmetry group, which is most probably describes the symmetry properties of the molecule. These lines are nearly forbidden for the molecule, adsorbed on rough metal surfaces. Appearance of these lines is associated with a strong quadrupole light–molecule interaction, which exists in this system. In addition, there are lines caused by contributions from both the vibrations transforming after the unit irreducible representation A and the representation B₁, which describes transformational properties of the d_z component of the dipole moment, which is perpendicular to the surface. This result is associated with the specific geometry of the molecule, when the indicated vibrations can be nearly degenerate and cannot be resolved by the SEHRS spectra analysis. Analysis of the SEHRS spectra for the possible geometry of the molecule with the D_2h symmetry group leads to similar results. This issue is in a full coincidence with the results of the SEHRS Dipole-Quadrupole theory.     

Preparation and Photophysics of 2-(1-Pyrenyl)acrylic Acid and Its Methyl and 2′,2′,6′,6′-Tetramethyl-4′-Piperidyl Esters

Novel probes represented connection of pyrene as chromophore and sterically hindered amine stabilizers (HAS) in the form of esters of 2-(1-pyrenyl)acrylic acid were synthesized. HAS was in the form of parent amine (PAP) as well as stable nitroxyl radical form (PAP-NO^.). Photophysics of these probes were compared with their precursor as 2-(1-pyrenyl)acrylic acid (PAA) and its methyl ester (PAM). The fluorescence spectrum of PAA strongly depends on the acidity of the solution. The spectrum in neutral methanol indicates that it originates from the anionic form –COO⁻. Changes of acidity or basicity of methanol solution resulted in the changes of shape, position as well as the intensity of fluorescence band. This is due to the presence of protolytic equilibria, either in the ground state or in the singlet excited state, leading to the formation of molecular form –COOH and the cationic form –COOH₂⁺. The ester analogues did not show any changes in various pH conditions. Fluorescence of all probes depends on the polarity of solvents and the presence of oxygen. Intermolecular quenching was studied with external quenchers TEMPO and oxygen and the data were compared with the intramolecular quenching using 1′-oxo-2′,2′,6′,6′-tetramethyl-4′-piperidinyl-2-(1-pyrenyl)acrylate (PAP-NO^.).     

Photometric and fluorimetric study of the acid-base behavior of 2,2′-diquinolyl and 2,2′,2″-terpyridyl

A photometric and fluorimetric study of the acid-base behavior of 2,2-diquinolyl and 2,2,2-terpyridyl was performed. In sulfuric acid medium, the doubly charged 2,2-diquinolynium ion undergoes the first dissociation atH ₀=0.20±0.09, as determined by fluorimetry (_ex=336 nm, _em=424 nm). Photometric titration is less accurate because of the overlapping of the absorption spectra. The second dissociation constant of 2,2-diquinolyl was determined by fluorimetric titration (_ex=336 nm, _em=420 nm), obtaining a value of 3.67±0.03. The triply charged 2,2,2-terpyridyl molecule was found to undergo the first dissociation atH ₀=–7.17±0.04, as determined by fluorimetric titration (_ex=316 nm, _em=350 nm), in aqueous sulfuric acid medium. Photometric titration (=335 nm) was performed in the presence of 6.5% ethanol because of the low solubility of the compound in water. In this ethanolicwater medium, a value of the dissociation constant atH ₀=–7.39±0.03 was calculated. The second dissociation constant was determined to be 2.81±0.12 by photometric titration at 285 nm, and values of 4.03±0.26 and 4.16±0.20 were found for the third dissociation constant by photometric titrations at 320 and 295 nm, in 10% ethanol, in close agreement with previously reported values. The fluorimetric titration profile obtained by exciting at 274 nm and measuring the fluorescence emission at 350 nm, in the zone betweenH ₀=–3 and pH=10, is complicated by the several equilibria involved.