The v(1)+v(3) Bands of the (16)O(17)O(16)O and (16)O(16)O(17)O Isotopomers of Ozone

Using 0.002 cm(-1) resolution Fourier transform absorption spectra of an (17)O enriched ozone sample, an extensive analysis of the v(1)+v(3) bands of the (16)O(17)O(16)O and (16)O(16)O(17)O isotopomers of ozone has been performed for the first time. The experimental rotational levels of the (101) vibrational states were satisfactorily reproduced using a Hamiltonian matrix that takes into account the observed rovibrational resonances. More precisely, for (16)O(17)O(16)O, as for the other C(2v)-type ozone isotopomers, it was necessary to account for the Coriolis type resonances linking the (101) rotational levels with the levels of the (200) and (002) vibrational states and the Darling-Dennison interaction coupling the levels of (200) with those of (002). For the C(s)-type isotopomer, namely (16)O(16)O(17)O, as for (16)O(16)O(18)O and (16)O(18)O(18)O, it proved necessary to also account for an additional DeltaK(a)&equals+/-2 resonance involving the rotational levels from (101) and (002) (J.-M. Flaud and R. Bacis, Spectrochimica Acta Part A 54, 3-16 (1998)). Using a Hamiltonian matrix which takes these resonances explicitly into account, precise vibrational energies and rotational and coupling constants were deduced, leading to the following band centers: v(0)(v(1)+v(3))=2078.3496 cm(-1) for (16)O(17)O(16)O and v(0)(v(1)+v(3))=2098.8631 cm(-1) for (16)O(16)O(17)O. Copyright 2001 Academic Press.     

Spin-triplet superconductivity in UNi(2)Al(3) revealed by the (27)Al Knight shift measurement

We report (27)Al Knight shift ( (27)K) measurement on a single-crystal UNi(2)Al(3) that reveals a coexistence of superconductivity and a spin-density-wave (SDW) type of magnetic ordering ( T(SDW) = 4.5 K). The spin part of (27)K, (27)K(s), does not change down to 50 mK across the superconducting (SC) transition temperature T(c) approximately 0.9 K. In contrast with the isostructural compound UPd(2)Al(3) ( T(c) approximately 2 K), which was identified to be a spin-singlet d-wave superconductor, the behavior of (27)K strongly supports that UNi(2)Al(3) , like UPt(3) and Sr(2)RuO(4), belongs to a class of spin-triplet SC pairing state superconductors.     

The High-Resolution FTIR Spectrum and Equilibrium Structure of Chloro(sulphido)boron

The FTIR spectrum of chloro(sulphido)boron, Cl-B&bond;S, has been recorded at 0.0035 cm(-1) resolution. The nu(3) bands of the isotopomers (35)Cl(11)B(32)S, (37)Cl(11)B(32)S, (35)Cl(11)B(34)S, (37)Cl(11)B(34)S, (35)Cl(10)B(32)S, (37)Cl(10)B(32)S, and (35)Cl(10)B(34)S have been analyzed to yield effective rotational and centrifugal distortion constants for the ground and a number of excited vibrational states. For the (35)Cl(11)B(32)S isotopomer the nu(1) band has also been analyzed. The rotational constants have been used to determine equilibrium bond lengths of 168.42(8) and 160.14(8) pm for the Cl-B and B-S bonds, respectively. Copyright 2000 Academic Press.     

Measurement of (1)J(NC') and (2)J(H(N))(C') couplings from spin-state-selective two-dimensional correlation spectrum.

A method for the measurement of (1)J(NC') and (2)J(H(N))(C') coupling constants from a simplified two-dimensional [(15)N, (1)H] correlation spectrum is presented. The multiplet components of the (1)J(NC') doublet in the indirect dimension and (2)J(H(N))(C') in the direct dimension are separated into two subspectra by spin-state-selective filters. Thus each subspectrum contains no more peaks than the conventional [(15)N, (1)H]-HSQC spectrum. Furthermore, the method for the measurement of (1)J(NC') and (2)J(H(N))(C') is designed to exploit destructive relaxation interference (TROSY). The results are verified against the measurements of (1)J(NC') from spin-state-selective [(13)C', (1)H] correlation spectra recorded with additional sequence described here.     

The Rotational Spectra, Structure, Internal Dynamics, and Electric Dipole Moment of the Argon-Ketene van der Waals Complex

Pulsed-beam Fourier transform microwave spectroscopy was used to observe and assign the rotational spectra of the argon-ketene van der Waals complex. Tunneling of the hydrogen or deuterium atoms splits the a- and b-type rotational transitions of H(2)CCO-Ar, H(2)(13)CCO-Ar, H(2)C(13)CO-Ar, and D(2)CCO-Ar into two states. This internal motion appears to be quenched for HDCCO-Ar where only one state is observed. The spectra of all isotopomers were satisfactorily fit to a Watson asymmetric top Hamiltonian which gave A=10 447.9248(10) MHz, B=1918.0138(16) MHz, C=1606.7642(15) MHz, Delta(J)=16.0856(70) kHz, Delta(JK)=274.779(64) kHz, Delta(K)=-152.24(23) kHz, delta(J)=2.5313(18) kHz, delta(K)=209.85(82) kHz, and h(K)=1.562(64) kHz for the A(1) state of H(2)CCO-Ar. Electric dipole moment measurements determined &mgr;(a)=0.417(10)x10(-30) C m [0.125(3) D] and &mgr;(b)=4.566(7)x10(-30) C m [1.369(2) D] along the a and b principal axes of the A(1) state of the normal isotopomer. A least squares fit of principal moments of inertia, I(a) and I(c), of H(2)CCO-Ar, H(2)(13)CCO-Ar, and H(2)C(13)CO-Ar for the A(1) states give the argon-ketene center of mass separation, R(cm)=3.5868(3) ?, and the angle between the line connecting argon with the center of mass of ketene and the C=C=O axis, θ(cm)=96.4 degrees (2). The spectral data are consistent with a planar geometry with the argon atom tilted toward the carbonyl carbon of ketene by 6.4 degrees from a T-shaped configuration. Copyright 2001 Academic Press.     

Resonant spin excitation in an overdoped high temperature superconductor

An inelastic neutron scattering study of overdoped Bi(2)Sr(2)CaCu(2)O(8+delta) ( T(c) = 83 K) has revealed a resonant spin excitation in the superconducting state. The mode energy is E(res) = 38.0 meV, significantly lower than in optimally doped Bi(2)Sr(2)CaCu(2)O(8+delta) ( T(c) = 91 K, E(res) = 42.4 meV). This observation, which indicates a constant ratio E(res)/k(B)T(c) approximately 5.4, helps resolve a long-standing controversy about the origin of the resonant spin excitation in high temperature superconductors.     

The Ultraviolet Spectrum of the FeF Radical: A Study of the (6)Pi-X(6)Delta and (6)Phi-X(6)Delta Band Systems at 330 and 323 nm Respectively

Two band systems of FeF have been recorded at Doppler-limited linewidths by laser-induced fluorescence. The 330-nm system provided data for three subbands of the (0,0) band of the (6)Pi-X(6)Delta system and showed that levels of the (6)Pi(5/2) and (6)Pi(3/2) components are significantly perturbed. In the 323-nm system, the (0,0) band of the (6)Phi-X(6)Delta system was found to be overlapped by the (1,0) band of the (6)Pi-X(6)Delta system. Data were obtained for three subbands of the (1,0) (6)Pi-X(6)Delta system and for five subbands of the (0, 0) (6)Phi-X(6)Delta system. This work considerably extends the previous study by Pouilly et al. (B. Pouilly, J. Schamps, D. J. W. Lumley, and R. F. Barrow, J. Phys. B 11, 2281-2287 (1978)) because it is a higher resolution study with a lower temperature production of FeF by a continuous flow discharge method. The data recorded were combined with millimeter-wave data for FeF in the X(6)Delta state and fitted with an effective Hamiltonian to determine the major parameters for FeF in the X(6)Delta, (6)Pi, and (6)Phi electronic levels. Copyright 2001 Academic Press.     

First-principles study on the electronic structure and magnetism of layered oxyselenide La2Mn2Se2O3

The electronic structure and magnetism of layered oxyselenide La(2)Mn(2)Se(2)O(3) have been studied by using first-principles calculations within the generalized gradient approximation (GGA) and GGA + U methods. The G-type antiferromagnetic (AF) state is calculated to be the most stable phase among the various magnetic configurations of interest, irrespective of the choice of the functional used, which is in good agreement with the experiments. In contrast to La(2)Fe(2)Se(2)O(3) and La(2)Co(2)Se(2)O(3), in which the AF states show metallic behavior under the GGA method, we predict the ground state of La(2)Mn(2)Se(2)O(3) is a semiconductor with an indirect band gap of ～0.52 eV via the GGA calculations. This is closely related to a closed shell configuration and large exchange splitting (～3.5 eV) in the Mn 3d states. Moreover, the magnetic properties are also discussed in terms of the calculated Heisenberg spin exchange constants, suggesting that La(2)Mn(2)Se(2)O(3) is a strong two-dimensional magnetically frustrated system.     

Magnetic order in hybrid frustrated magnets Gd(2-x)Tb(x)Ti2O7 (x = 0.2 and 0.5)

We report on the specific heat, magnetization and ac susceptibility measurements of single crystals of hybrid frustrated magnets Gd(1.8)Tb(0.2)Ti(2)O(7) and Gd(1.5)Tb(0.5)Ti(2)O(7). The analysis of experimental data revealed that, although partial replacing of the Gd(3+) ions by the Tb(3+) ions in the Gd(2)Ti(2)O(7) host lattice slightly enhances antiferromagnetic coupling, as inferred from the evolution of the paramagnetic Curie-Weiss temperature, the ordering temperature gradually decreases. Paramagnetic correlations introduced by the Tb(3+) ions cause this perturbation, altering the effective further neighbor interactions and destabilizing the ground state in Gd(2)Ti(2)O(7). In addition, the low-energy states of Gd(2-x)Tb(x)Ti(2)O(7) are suggested to possess a nature different from those in parent members Tb(2)Ti(2)O(7) and Gd(2)Ti(2)O(7). Finally, the frequency-dependent magnetic susceptibility behavior in Gd(1.5)Tb(0.5)Ti(2)O(7) is consistent with the formation of a spin-glass-like state indicating a pronounced slowing down of the dynamical response of the studied hybrid magnets.     

2-(4-氯代苯甲酰基)苯甲酸配合物光致发光研究

以Eu3+,Tb3+为中心离子,2-(4-氯代苯甲酰基)苯甲酸(HCBBA)为第一配体,邻菲咯啉(Phen)、三苯基氧膦(TPPO)、二苯亚砜(DPSO)为第二配体,合成了多种铕铽的二元和三元配合物,并测试其荧光效能,以研究配体的加入对中心离子发光强度的影响。结果表明,合成的配合物均发出Eu(Ⅲ)和Tb(Ⅲ)的特征荧光,但相对强度明显不同。在铕与2-(4-氯代苯甲酰基)苯甲酸根(CBBA)形成的配合物体系中,Phen和DPSO显示了较强的敏化作用,且Phen敏化效果更强,而TPPO则对配合物荧光有猝灭作用。在Tb-CBBA体系中,DPSO表现出很强的敏化作用, Phen和TPPO却对配合物荧光起猝灭作用,且TPPO猝灭效果更强。经红外推测,羧酸根均以双齿桥式与Eu3+和Tb3+配位;在3 200～3 600 cm-1出现水的弱的羟基的伸缩振动吸收峰,表明配合物中含有结晶水。     

Practical choice of ¹H-¹H decoupling schemes in through-bond ¹H-{X} HMQC experiments at ultra-fast MAS

Three (1)H-(1)H homonuclear dipolar decoupling schemes for (1)H indirect detection measurements at very fast MAS are compared. The sequences require the following conditions: (i) being operable at very fast MAS, (ii) a long T(2)(') value, (iii) a large scaling factor, (iv) a small number of adjustable parameters, (v) an acquisition window, (vi) a low rf-power requirement, and (vii) a z-rotation feature. To satisfy these conditions a modified sequence named TIlted Magic-Echo Sandwich with zero degree sandwich pulse (TIMES(0)) is introduced. The basic elements of TIMES(0) consist of one sampling window and two phase-ramped irradiations, which realize alternating positive and negative 360° rotations of (1)H magnetization around an effective field tilted with an angle θ from the B(0) axis. The TIMES(0) sequence benefits from very large chemical shift scaling factors at ultra-fast MAS that reach κ(cs)=0.90 for θ=25° at ν(r)=80kHz MAS and only four adjustable parameters, resulting in easy setup. Long κ(cs)T(2)(') values, where T(2)(') is a irreversible proton transverse relaxation time, greatly enhance the sensitivity in (1)H-{(13)C} through-bond J-HMQC (Heteronuclear Multiple-Quantum Coherence) measurements with (1)H-(1)H decoupling during magnetization transfer periods. Although similar sensitivity can be obtained with through-space D-HMQC sequences, in which (13)C-(1)H dipolar interactions are recoupled, J-HMQC experiments incorporating (1)H-(1)H decoupling benefit from lower t(1)-noise, more uniform excitation of both CH, CH(2) and CH(3) moieties, and easier identification of through-bond connectivities.     

White organic light-emitting device with\ both phosphorescent and fluorescent emissive layers

This paper reports the fabrication of novel white organic light-emitting device（WOLED） by using a high efficiency blue fluorescent dye N-（4-（（E）-2-（6-（（E）-4-（diphenylamino）styryl）naphthalen-2-yl）vinyl）phenyl）oN- phenylbenzenamine （N-BDAVBi） and a red phosphoresecent dye bis （1-（phenyl） isoquinoline） iridium （III） acetylanetonate （Ir（piq）2（acac））. The configuration of the device was ITO/PVK：TPD/CBP： N-BDAVBi /CBP/ BALq： Ir（piq）2（acac）/BCP/Alq3/LiF：AL. By adjusting the proportion of the dopants （N-BDAVBi, Ir（piq）2（acac）） in the light-emitting layer, white light with Commission Internationale de l＇Eclairage （CIE） coordinates of （0.35, 0.35） and a maximum luminance of 25350cd/m2 were obtained external quantum and current efficiency of 6.78% and between the two light-emitting layers and using BCP at an applied voltage of 22V. The WOLED exhibits maximum 12cd/A respectively. By placing an undoped spacer CBP layer as hole blocking layer, the colour stabilization slightly changed when the driving voltage increased from 6 to 22 V.     

Near-Infrared Laser Spectroscopy of TiS: The b(1)Pi-X(3)Delta Transition

Laser-induced fluorescence spectrum of TiS in the 769-863 nm region has been recorded and analyzed. The TiS molecule was produced using the technique of laser vaporization/reaction with supersonic cooling. Twenty-one weak subbands have been assigned as being due to b(1)Pi-X(3)Delta, B(3)Pi(0)-X(3)Delta(1), and C(3)Delta-X(3)Delta transitions. Strong evidence shows that the b(1)Pi state is responsible for perturbing the v = 0, 1, and 2 levels of the C(3)Delta(1) subband. The molecular constants of the b(1)Pi state have been determined as follows: T(e) = 10 589.47 cm(-1), omega(e) = 542.14 cm(-1), omega(e)x(e) = 3.16 cm(-1), B(e) = 0.19568 cm(-1), and alpha(e) = 0.00085 cm(-1). The spin-orbit interaction between the b(1)Pi (v = 2 and 3) and C(3)Delta (v = 1 and 2) levels is discussed in terms of configuration interaction occurring between the b(1)Pi from the 11varsigma(1) 5pi(1) configuration and the (1)Pi from the 5pi(1) 1delta(1) configuration, and the C(3)Delta state from 12varsigma(1) 1delta(1) configuration. Copyright 2000 Academic Press.     

Exclusive branching-fraction measurements of semileptonic tau decays into three charged hadrons, into phipi(-)nu tau, and into phi K(-)nu tau

Using a data sample corresponding to an integrated luminosity of 342 fb(-1) collected with the BABAR detector at the SLAC PEP-II electron-positron storage ring operating at a center-of-mass energy near 10.58 GeV, we measure B(tau(-)--> pi(-)pi(-)pi+nu(tau)(ex.K(S0))=(8.83+/-0.01+/-0.13)%, B(tau(-) -->K(-)pi(-)pi+nu tau(ex.K(S0))=(0.273+/-0.002+/-0.009)%, B(tau(-) -->K(-)pi(-)K+nu tau)=(0.1346+/-0.0010+/-0.0036)%, and B(tau(-) -->K(-)K(-)K+nu tau)=(1.58+/-0.13+/-0.12)x10;{-5}, where the uncertainties are statistical and systematic, respectively. These include significant improvements over previous measurements and a first measurement of B(tau(-) -->K(-)K(-)K+nu tau) in which no resonance structure is assumed. We also report a first measurement of B(tau(-) -->var phi(-)nu tau)=(3.42+/-0.55+/-0.25)x10(-5), a new measurement of B(tau(-) -->var phi K(-)nu tau)=(3.39+/-0.20+/-0.28)x10(-5) and a first upper limit on B(tau(-) -->K(-)K(-)K+nu tau(ex.var phi)).     

Clean prediction of CP-violating processes psi, phi, and Gamma decay to KSKS and KLKL

The ratio of K(S)K(S) (K(L)K(L)) and K(L)K(L) production rates is calculated by considering K(0) - K(0) oscillation in J/psi --> K(0)K(0) decay. The theoretical uncertainty due to strong interaction in J/psi decay is completely canceled in the ratio; therefore, the absolute branching fractions of the CP-violating processes of J/psi --> K(S)K(S) and K(L)K(L) can be cleanly and model-independently determined in the case that J/psi K(S)K(L) decay is precisely measured. In the future tau-charm factory, the expected CP violating process of J/psi --> K(S)K(S) should be reached. It is important to measure J/psi to K(S)K(S) and K(S)K(L) decays simultaneously, so that many systematic errors will be canceled. More precise measurements are suggested to examine the predicted isospin relation in J/psi --> KK decays. All results can be extended to decays of other vector quarkonia, phi, psi(2S), and gamma(1S), etc.     

Evidence of two dimensionality in quasi-one-dimensional cobalt oxides

The quasi-one-dimensional (Q1D) cobalt oxides A(N + 2)Co(n + 1)O(3n + 3) (A = Ca, Sr, and Ba, n = 1 - infinity) were investigated by muon-spin spectroscopy under applied pressures of up to 1.1 GPa. The relationship between the onset Néel temperature T(on)(N) and the interchain distance (d(ic)), which increases monotonically with n, is well fitted by the formula T(N)/T(N,0) = (1 - d(ic)/d(ic,o)(beta), here for T(on)(N) approximately 100 K for Ca(3)Co(2)O(6) (n = 1) and approximately 15 for BaCoCoO(3) (n = infinity at ambient P. The T(on)(N) - d(ic) curve also predicts a large dependence of Y(N) for the compounds with n > or = 5, i.e., in the vicinity of , while the compounds show only a very small effect. Indeed, our high-pressure mu(+) results show that of BaCoO(3) is enhanced by with a slope of 2.2 K(Gpa), whereas no detectable changes by P for both Ca(3)Co(2)O(6) and Sr(4)Co(3)O(9) (n = 2). This clearly confirms the role of the 2D-antiferromagnetic interaction on T(on)(N) in the Q1D cobalt oxides.     

产生医用放射性核素核数据的测量、理论计算与评价

简要介绍已广泛用于临床的^32P,^89Sr,^90Y,^103Pd,^125I,^131I,^137Cs,^153Sm,^186Re,^188Re,^192Ir和具有很大潜在使用可能性的^64Cu,^67Cu,^67Ga,^86Y,^105Rh,^111In,^114mIn,^124I,^149Pm,^166Ho,^169Yb,^177Lu,^211At,^213Bi,^225Ac 26个放射性核素利用反应堆或加速器或衰变的55种不同途径产生的核数据的测量、理论计算及数据可靠性的初步评价,以改善其在诊断和治疗医用中的安全性、有效性和科学性。The nuclear data measurements and preliminary evaluation as well as alculation for established and emerging 26 radionuclides produced in 55 ways by using reactor or accelerator or decay are briefly introduced in order to keep the safety and validity in medical therapeutic applications. The 11 established radionuclides are ^32P,^89Sr,^90Y,^103Pd,^125I,^131I,^137Cs,^153Sm,^186Re,^188Re,^192Ir and the 15 emerging radionuclides are 64Cu,^67Cu,^67Ga,^86Y,^105Rh,^111In,^114mIn,^124I,^149Pm,^166Ho,^169Yb,^177Lu,^211At,^213Bi,^225Ac.     

Noncritically phase-matched frequency conversion in Gd(x)Y(1-x)Ca(4)O(BO(3))(3) crystal

A nonlinear optical crystal YCa(4)O(BO(3))(3) (YCOB) is phase matchable for third-harmonic generation (THG) of a Nd:YAG laser by type I mixing between 1.064 and 0.532mum . By partial substitution of Gd for Y in YCOB, a solid solution Gd(x)Y(1-x)Ca(4)O(BO(3))(3) gradually changes the phase-matching angles of THG to (theta, ?)=(90( degrees ), 90 ( degrees )) . We present the properties of noncritically phase-matched THG in Gd(x) Y(1-x)Ca(4)O(BO(3))(3) (x=0.28) .     

Sulfate Reduction in a Forested Catchment as Indicated by δ(34)S Values of Sulfate in Soil Solutions and Runoff

Abstract In a forested catchment in the Fichtelgebirge mountains (NE-Bavaria, Germany) the long term SO(4) (2-) budget (average 1988-1994) indicated that about 40% of the input with throughfall (16.8 kg SO(4) (2-) S·ha(-1)·yr(-1)) was retained in the catchment. In order to identify processes acting as potential SO(4) (2-) sinks, δ(34)S values of SO(4) (2-) in soil solutions and runoff were measured between May and November 1994. δ(34)S values of the runoff and the fen were higher (5.8‰) than the δ(34)S values of the soil solution of the oxic soils in the terrestrial area (3.9‰). Because there is no lithogenic S source within the catchment, it can be assumed that SO(4) (2-) deposition is the only S source in the catchment. Thus the results were interpreted as a result of SO(4) (2-) reduction within the catchment, because the uptake of (32)S is favoured during the dissimilatory SO(4) (2-) reduction and (34)S is consequently enriched in the soil solution. To estimate the amount of SO(4) (2-) reduced isotopic fractionation factors between - 9‰ and -46‰ were considered, resulting in SO(4) (2-) reduction rates of 1.8-9.3 kg SO(4) (2)-S·ha(-1)yr(-1). It was concluded that besides dissimilatory SO(4) (2-) reduction another sink exists in the catchment (e.g. SO(4) (2-) sorption in deep soil layers).     

First observation of the decays B(0) → D(+)K(-)π(+)π(-) and B(-) → D(0)K(-)π(+)π(-)

First observations of the Cabibbo-suppressed decays B(0) → D(+)K(-)π(+)π(-) and B(-) → D(0)K(-)π(+)π(-) are reported using 35 pb(-1) of data collected with the LHCb detector. Their branching fractions are measured with respect to the corresponding Cabibbo-favored decays, from which we obtain B(B(0) → D(+)K(-)π(+)π(-))/B(B(0) → D(+)π(-)π(+)π(-))=(5.9±1.1±0.5)×10(-2) and B(B(-) → D(0)K(-)π(+)π(-))/B(B(-) → D(0)π(-)π(+)π(-))=(9.4±1.3±0.9)×10(-2), where the uncertainties are statistical and systematic, respectively. The B(-) → D(0)K(-)π(+)π(-) decay is particularly interesting, as it can be used in a similar way to B(-) → D(0)K(-) to measure the Cabibbo-Kobayashi-Maskawa phase γ.