207Pb NMR of minium, Pb3O4: evidence for the [Pb2]4+ ion and possible relativistic effects in the Pb-Pb bond

Solid Pb3O4 has been studied with 207Pb nuclear magnetic resonance (NMR) spectroscopy. The 207Pb NMR chemical-shift tensor of the Pb2+ site has principal values of delta11 = 1980 +/- 5 ppm, delta22 = 1540 +/- 5 ppm, and delta33 = -1108 +/- 10 ppm; delta(iso) = 804 +/- 10 ppm. The chemical-shift tensor of the Pb4+ site is axial, with principal values delta(parallel) = -1009 +/- 3 ppm and delta(perpendicular) = 1132 +/- 3 ppm; delta(iso) = -1091 +/- 3 ppm. The Pb4+-Pb2+ scalar coupling constant J(Pb-Pb) = 2.3 +/- 0.1 kHz. The main contribution to the Pb2- chemical-shift anisotropy is proposed to arise from an exchange interaction in the Pb2+-Pb2+ pairs, conventionally regarded as molecular [Pb2]4+ ions.     

Determination of the 17O NMR tensors in potassium hydrogen dibenzoate: a salt containing a short O...H...O hydrogen bond

Solid-state 17O NMR spectra were obtained at 4.70, 11.75 and 19.60T for potassium hydrogen [17O(4)]dibenzoate (PHB) under both magic-angle spinning and stationary conditions. Spectral analyses yielded both the magnitude and orientation of the 17O chemical shift (CS) tensor and the electric field gradient (EFG) tensor for each of the two chemically distinct oxygen sites in PHB. For the oxygen site that is not involved in hydrogen bonding, the experimental 17O NMR tensors are: delta(iso)=287+/-2 ppm, delta(11)=470+/-5 ppm, delta(22)=380+/-5 ppm, delta(33)=10+/-5 ppm, C(Q)=8.30+/-0.02 MHz, eta(Q)=0.23+/-0.05, alpha=0+/-5 degrees, beta=90+/-5 degrees, and gamma=30+/-5 degrees. For the oxygen site in the short O...H...O hydrogen bond, the experimental 17O NMR tensors are: delta(iso)=213+/-2 ppm, delta(11)=370+/-5 ppm, delta(22)=190+/-5 ppm, delta(33)=80+/-5 ppm, C(Q)=5.90+/-0.02 MHz, eta(Q)=0.55+/-0.05, alpha=5+/-5 degrees, beta=90+/-5 degrees, and gamma=90+/-5 degrees. Extensive quantum mechanical calculations at both restricted Hartree-Fock and density functional theory levels were performed to investigate the effects of an effectively symmetrical O...H...O hydrogen bond on 17O CS and EFG tensors.     

59Co chemical shift anisotropy and quadrupole coupling for K3Co(CN)6 from MQMAS and MAS NMR spectroscopy

59Co triple-quantum (3Q) MAS and single-pulse MAS NMR spectra of K3Co(CN)6 have been obtained at 14.1 T and used in a comparison of these methods for determination of small chemical shift anisotropies for spin I = 7/2 nuclei. From the 3QMAS NMR spectrum a spinning sideband manifold in the isotropic dimension with high resolution is reconstructed from the intensities of all spinning sidebands in the 3QMAS spectrum. The chemical shift anisotropy (CSA) parameters determined from this spectrum are compared with those obtained from MAS NMR spectra of (i) the complete manifold of spinning sidebands for the central and satellite transitions and of (ii) the second-order quadrupolar lineshapes for the centerband and spinning sidebands from the central transition. A good agreement between the three data sets, all of high precision, is obtained for the shift anisotropy (delta(sigma) = delta(iso) - delta(zz)) whereas minor deviations are observed for the CSA asymmetry parameter (eta(sigma)). The temperature dependence of the isotropic 59Co chemical shift has been studied over a temperature range from -28 to +76 degrees C. A linear and positive temperature dependence of 0.97 ppm/degree C is observed.     

Measurements of branching fraction, polarization, and charge asymmetry of B(+/-)-->rho(+/-)rho(0) and a search for B(+/-)-->rho(+/-)f(0)(980)

We measure the branching fraction (B), polarization (f(L)), and CP asymmetry (A(CP)) of B(+/-)-->rho(+/-)rho(0) decays and search for the decay B(+/-)-->rho(+/-)f(0)(980) based on a data sample of 231.8 x 10(6) Upsilon(4S)-->BB decays collected with the BABAR detector at the SLAC PEP-II asymmetric-energy B factory. In B(+/-)-->rho(+/-)rho(0) decays we measure B=(16.8+/-2.2+/-2.3) x 10(-), f(L)=0.905+/-0.042(-0.027)(+0.023), and A(CP)=-0.12+/-0.13+/-0.10, and find an upper limit on the branching fraction of B(+/-)-->rho(+/-)f(0)(980)(-->pi(+)pi(-)) decays of 1.9 x 10(-6) at 90% confidence level.     

Measurements of CP-violating asymmetries in B0-->a1+/-(1260)pi-/+ decays

We present measurements of CP-violating asymmetries in the decay B(0)-->a(1)(+/-)(1260)pi(-/+) with a(1)(+/-)(1260)-->pi(-/+)pi(+/-)pi(+/-). The data sample corresponds to 384x10(6) BB[over ] pairs collected with the BABAR detector at the PEP-II asymmetric B factory at SLAC. We measure the CP-violating asymmetry A(CP)(a(1)pi)=-0.07+/-0.07+/-0.02, the mixing-induced CP violation parameter S(a(1)pi)=0.37+/-0.21+/-0.07, the direct CP violation parameter C(a(1)pi)=-0.10+/-0.15+/-0.09, and the parameters DeltaC(a(1)pi)=0.26+/-0.15+/-0.07 and DeltaS(a(1)pi)=-0.14+/-0.21+/-0.06. From these measured quantities we determine the angle alpha(eff)=78.6 degrees +/-7.3 degrees.     

Measurements of branching fractions and CP-violating asymmetries in B0-->rho(+/-)h(-/+) decays

We present measurements of branching fractions and CP-violating asymmetries in B0-->rho(+/-)pi(-/+) and B0-->rho-K+ decays. The results are obtained from a data sample of 88.9 x 10(6) Upsilon(4S)-->BB decays collected with the BABAR detector at the SLAC PEP-II asymmetric-energy B Factory. From a time-dependent maximum likelihood fit we measure the branching fractions B(B0-->rho(+/-)pi(-/+))=[22.6+/-1.8 (stat)+/-2.2 (syst)]x10(-6) and B(B0-->rho-K+)=(7.3 -1.2( +1.3)+/-1.3)x10(-6), and the CP-violating charge asymmetries A(rhopi)(CP)=-0.18+/-0.08+/-0.03 and A(rhoK)(CP)=0.28+/-0.17+/-0.08, the direct CP violation parameter C(rhopi)=0.36+/-0.18+/-0.04 and the mixing-induced CP violation parameter S(rhopi)=0.19+/-0.24+/-0.03, and the dilution parameters DeltaC(rhopi)=0.28 -0.19( +0.18)+/-0.04 and DeltaS(rhopi)=0.15+/-0.25+/-0.03.     

Theoretical study of two-dimensional COSY experiments for S = 7/2 spins: application to (59)Co in the tetrahedral cluster HFeCo(3)(CO)(11)PPh(2)H

The first investigation and analysis of (59)Co 2D NMR homonuclear chemical shift correlation spectra are reported for the tetrahedral mixed-metal cluster HFeCo(3)(CO)(11)PPh(2)H. For this cluster in solution, the (59)Co 2D COSY and DQF COSY NMR spectra prove the existence of a scalar coupling between (59)Co nuclei. In order to obtain a value of this coupling, the 2D COSY and DQF COSY NMR spectra for a three-spin 7/2 AX(2) system have been simulated by numerical density matrix calculations. The comparison between experimental and theoretical 2D NMR spectra gives a spin-coupling constant |(1)J((59)Co - (59)Co)| = (115 +/- 20) Hz for this cluster. Experimental measurements of T(1) and of the line widths for cobalt 59 as well as theoretical (59)Co 1D NMR spectra are reported and support our findings.     

EPR and HYSCORE investigation of the electronic structure of the model complex Mn(imidazole)6: exploring Mn(II)-imidazole binding using single crystals

The electronic structure of the Mn(II)-imidazole binding was studied by EPR spectroscopy using the model complex Mn(Im)(6) diluted in a single crystal of Zn(Im)(6)Cl(2).4(H(2)O). The second rank zero-field splitting (ZFS) tensor (D tensor) of the two sites, a and b, present in the crystal was determined by measuring the orientation patterns of the echo-detected EPR spectra in three different planes at 10K (D(a)=-106, D(b)=-118, E(a)=-17, E(b)=-22x10(-4)cm(-1). Euler angles with respect to the crystal habitus: alpha(a)=13 degrees , beta(a)=76 degrees , gamma(a)=108.5 degrees , alpha(b)=14 degrees , beta(b)=73.5 degrees , gamma(b)=103.5 degrees ). The contribution of cubic ZFS terms to the spectrum allowed us to determine the orientation of the N-Mn-N directions of the complex as well (Euler angles in the D tensor reference frame alpha=100 degrees , beta=23 degrees , gamma=0 degrees , both centers having the same orientation). The hyperfine interactions with (14)N were explored by HYSCORE spectroscopy. The correlation patterns and modulation amplitudes in the 2D experiments were studied for different electron spin transitions and orientations of the crystal. Signals of three different pairs of nitrogens were found. The results were analyzed considering that the N-Mn binding directions are principal directions of the hyperfine and nuclear quadrupole tensor of (14)N. All three pairs of nitrogens were found to be almost equivalent with an isotropic contribution of A(iso) approximately 3.2MHz and an almost axial anisotropic coupling of 2T approximately 1.1MHz along the N-Mn bonding direction. The nuclear quadrupole principal values are 1.5MHz along the bonding direction, -0.6MHz in the direction perpendicular to the imidazole plane, and -0.9MHz in the direction perpendicular to both.     

Measurement of the B0-->phiK*0 decay amplitudes

With a sample of about 227x10(6) BB pairs recorded with the BABAR detector we perform a full angular analysis of the decay B0-->phiK(*0)(892). We make novel measurements of five parameters sensitive to CP violation. We also measure the branching fraction to be (9.2+/-0.9+/-0.5)x10(-6) and determine the fractions of longitudinal and parity-odd transverse contributions as f(L)=0.52+/-0.05+/-0.02 and f( perpendicular)=0.22+/-0.05+/-0.02. The phases of the parity-even and parity-odd transverse amplitudes relative to the longitudinal amplitude are found to be phi( parallel)=2.34(+0.23)(-0.20)+/-0.05 rad and phi( perpendicular)=2.47+/-0.25+/-0.05 rad. We also observe the decay B0-->phiK(*0)(1430).     

Measurement of the Cabibbo-Kobayashi-Maskawa angle gamma in B+/--->D*K+/- decays with a Dalitz analysis of D-->K0(S)pi-pi+

We report on a measurement of the Cabibbo-Kobayashi-Maskawa CP-violating phase gamma through a Dalitz analysis of neutral D decays to K0(S)pi-pi+ in the processes B+/- -->D*K+/-, D*-->Dpi0, Dgamma. Using a sample of 227 x 10(6) BB pairs collected by the BABAR detector, we measure the amplitude ratios r(B)=0.12+/-0.03+/-0.04 and r*(B)=0.17+/-0.10+/-0.03+/-0.03, the relative strong phases delta(B)=(104+/-45(+17+16)(-21-24))degrees and delta*(B)=(-64+/-41(+14)(-12)+/-15) degrees between the amplitudes A(B- -->D*0K-) and A(B- -->D*0)K-), and gamma=(70+/-31(+12+14)(-10-11))degrees. The first error is statistical, the second is the experimental systematic uncertainty, and the third reflects the Dalitz model uncertainty. The results for the strong and weak phases have a twofold ambiguity.     

A multinuclear magnetic resonance examination of the mineral grandidierite. Identification of a 27Al resonance from a well-defined AlO5 site.

11B, 27Al and 29Si magic angle spinning NMR results are reported for the boroaluminosilicate mineral grandidierite (Mg, Fe)Al3SiBO9. Three distinct aluminium sites are identified, two AlO6 and one AlO5. Despite overlap of the centrebands from these sites the use of three magnetic fields (9.4, 11.7 and 14.1 T) allows unambiguous values for the isotropic chemical shift (delta iso), quadrupolar coupling constant (Cq) and quadrupolar asymmetry parameter (eta) to be deduced for each site. The NMR spectrum from the AlO5 site is simulated with parameters Cq = 8.7 +/- 0.1 MHz, eta = 0.95 +/- 0.05 and delta iso = 41 +/- 1 ppm which are compared to values from other well-defined AlO5 units.     

Measurement of the electric form factor of the neutron at Q2=0.5 and 1.0 GeV2/c2

The electric form factor of the neutron was determined from measurements of the d-->(e-->,e'n)p reaction for quasielastic kinematics. Polarized electrons were scattered off a polarized deuterated ammonia (15ND3) target in which the deuteron polarization was perpendicular to the momentum transfer. The scattered electrons were detected in a magnetic spectrometer in coincidence with neutrons in a large solid angle detector. We find G(n)(E)=0.0526+/-0.0033(stat)+/-0.0026(sys) and 0.0454+/-0.0054+/-0.0037 at Q(2)=0.5 and 1.0 (GeV/c)(2), respectively.     

Measurement of the transverse beam spin asymmetry in elastic electron-proton scattering and the inelastic contribution to the imaginary part of the two-photon exchange amplitude

We report on a measurement of the asymmetry in the scattering of transversely polarized electrons off unpolarized protons, A( perpendicular), at two Q2 values of 0.106 and 0.230 (GeV/c)(2) and a scattering angle of 30 degrees 相似文献   

Observation of the decay B+/--->pi+/-pi0, study of B+/--->K+/-pi0, and search for B0-->pi0pi0

We present results for the branching fractions and charge asymmetries in B+/--->h(+/-)pi(0) (where h(+/-)=pi(+/-),K+/-) and a search for the decay B0-->pi(0)pi(0) using a sample of approximately 88 x 10(6) BBmacr; pairs collected by the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC. We measure B(B+/--->pi(+/-)pi(0))=(5.5(+1.0)(-0.9)+/-0.6)x10(-6), where the first error is statistical and the second is systematic. The B+/--->pi(+/-)pi(0) signal has a significance of 7.7sigma including systematic uncertainties. We simultaneously measure the K+/-pi(0) branching fraction to be B(B+/--->K+/-pi(0))=(12.8(+1.2)(-1.1)+/-1.0)x10(-6). The charge asymmetries are Api(+/-)(pi(0))=-0.03(+0.18)(-0.17)+/-0.02 and AK+/-(pi(0))=-0.09+/-0.09+/-0.01. We place a 90% confidence-level upper limit on the branching fraction B(B0-->pi(0)pi(0)) of 3.6 x 10(-6).     

Bond-shift rearrangement in solid Li(3)P(7)(monoglyme)(3): a (31)P MAS NMR study.

The (31)P MAS NMR spectrum of solid Li(3)P(7)(monoglyme)(3) has been reinvestigated over a wide temperature range (-70 to +77 degrees C) and under conditions of better resolution (Larmor frequency of 162 MHz and spinning rate of approximately 30 kHz) than previously measured (121 MHz and 13 kHz). At low temperatures three spinning sideband (ssb) manifolds are observed: a singlet (centered at -45 ppm relative to 85% H(3)PO(4)) due to the apical atom (A) of the P(7)-cage trianion; a 1 : 1 : 1 triplet (at -110, -117, and -124.5 ppm) due to the negatively charged equatorial (E) atoms, and a one to two doublet (at -161 and -168.5 ppm) due to the basal (B) atoms. These results are consistent with the P(7) cage having nearly, but not perfect, C(3v) symmetry. The compound appears to be well ordered in the solid state with very little structural dispersity. On heating, the NMR lines broaden and eventually coalesce into a single ssb manifold. This behavior is ascribed to bond-shift rearrangement similar to the Cope rearrangement in bullvalene. A MAS 2D exchange experiment and a quantitative analysis of the 1D NMR lineshapes indicate that, unlike in solution where the rearrangement involves a single bond shift at a time, in the solid the process involves a succession of two bond shifts: The first leads to an intermediate species in which the rearranged P(7) cage is inverted, while in the subsequent step a second bond shift takes place that also restores the original orientation of the cage in the lattice. The overall effect of the double bond shift is equivalent to cyclic permutation of the phosphorus atoms within the five member rings of the P(7)-cage. The quantitative analysis of the dynamic lineshapes shows that this cyclic permutation proceeds at a different rate in one ring (k(d)(1)) than in the other two (k(d)(2,3)). The kinetic parameters for these processes are E(a)(1)=18.7 kJ/mol, E(a)(2,3)=58.0 kJ/mol, k(d)(1)(17 degrees C)=k(d)(2,3)(17 degrees C)=10(4) s(-1). No indications for independent threefold molecular jumps of the P(7) cage were found.     

Oxide/metal interface distance and epitaxial strain in the NiO/Ag(001) system

Geometric parameters of NiO films epitaxially grown on Ag(001) were determined using two independent experimental techniques and ab initio simulations. Primary beam diffraction modulated electron emission experiments determined that the NiO films grow with O on top of Ag and that the oxide/metal interface distance is d=2.3+/-0.1 A. Polarization-dependent x-ray absorption, at the Ni-K edge, determined the tetragonal strain (r( parallel )=2.046+/-0.009 A, r( perpendicular )=2.12+/-0.02 A) and d=2.37+/-0.05 A. Periodic slab model results agree with the experiments (d=2.40, r( parallel )=2.07, r( perpendicular )=2.10 A; the O-on-top configuration is the most stable).     

Vortex fluctuations in underdoped Bi(2)Sr(2)CaCu(2)O(8+delta) crystals

Vortex thermal fluctuations in heavily underdoped Bi(2)Sr(2)CaCu(2)O(8+delta) (T(c)=69.4 K) are studied using Josephson plasma resonance. From the zero-field data, we obtain the c-axis penetration depth lambda(L,c)(0)=230+/-10 micrometer and the anisotropy ratio gamma(T). The low plasma frequency allows us to study phase correlations over the whole vortex solid state and to extract a wandering length r(w) of vortex pancakes. The temperature dependence of r(w) as well as its increase with dc magnetic field is explained by the renormalization of the vortex line tension by the fluctuations, suggesting that this softening is responsible for the dissociation of the vortices at the first order transition.     

V(us) and m(s) from hadronic tau decays

Recent experimental results on hadronic tau decays into strange particles by the OPAL Collaboration are employed to determine V(us) and m(s) from moments of the invariant mass distribution. Our results are V(us)=0.2208+/-0.0034 and m(s)(2 GeV)=81+/-22 MeV. The error on V(us) is dominated by experiment and should be improvable in the future. Nevertheless, already now our result is competitive with the standard extraction of V(us) from K(e3) decays, and it is compatible with unitarity.     

Observation of B+/- -->omegaK+/- decay

We report the first observation of the charmless two-body mode B+/--->omegaK+/- decay, and a new measurement of the branching fraction for the B+/--->omegapi(+/-) decay. The measured branching fractions are B(B+/--->omegaK+/-)=(9.2(+2.6)(-2.3)+/-1.0)x10(-6) and B(B+/--->omegapi(+/-))=(4.2(+2.0)(-1.8)+/-0.5)x10(-6). We also measure the partial rate asymmetry of B+/--->omegaK+/- decays and obtain A(CP)=-0.21+/-0.28+/-0.03. The results are based on a data sample of 29.4 fb(-1) collected on the Upsilon(4S) resonance by the Belle detector at the KEKB e(+)e(-) collider.     

Study of B0-->rho+/- pi-/+ time-dependent CP violation at Belle

We present a time-dependent analysis of CP violation in B0-->rho(+/-)pi(-/+) decays based on a 140 fb(-1) data sample collected at the Upsilon(4S) resonance with the Belle detector at KEKB. We obtain the charge asymmetry A(rhopi)(CP)=-0.16+/-0.10(stat)+/-0.02(syst). An unbinned maximum-likelihood fit to the Deltat distributions yields C(rhopi)=0.25+/-0.17(stat)+0.02-0.06(syst), DeltaC(rhopi)=0.38+/-0.18(stat)+0.02-0.04(syst), S(rhopi)=-0.28+/-0.23(stat)+0.10-0.08(syst), and DeltaS(rhopi)=-0.30+/-0.24(stat)+/-0.09(syst). The direct CP violation parameters for B-->rho(+)pi(-) and B-->rho(-)pi(+) decays are A(+-)(rhopi)=-0.02+/-0.16(stat)+0.05-0.02(syst) and A(-+)(rhopi)=-0.53+/-0.29(stat)+0.09-0.04(syst).