Vibrational analysis of 1-methyl-pyridinium-2-aldoxime and 1-methyl-pyridinium-4-aldoxime cations

Pyrimidinium aldoximes are administered intravenously in cases of acute organophosphate poisoning. Since questions regarding their morphology and active conformation in the solution are still open, an effort was made to establish correspondence between their crystal state conformers and vibrational spectra, thus facilitating the future work on the assignment of bands in solution. Normal coordinate analysis including the potential energy distribution for all modes was performed for 1-methyl-pyridinium-2-aldoxime (PAM2AN) and 1-methyl-pyridinium-4-aldoxime (PAM4AN) cations (charge=+e, spin=0). Positions of infrared and Raman bands of corresponding chloride salts agree rather well with predicted values, except for modes taking part in hydrogen bonding to anions. The strength of hydrogen bonding is estimated to be of medium strength in both salts, the bonding in PAM2AN being stronger. The calculated and observed values of the characteristic stretching modes for the aldoxime moiety have been in accordance with the stronger acidity of PAM2AN structural isomer.     

Spin depolarization in Ni and Ce

Spin polarized electrons produced by polarized light in a Ge single crystal are depolarized by thin layers of Ni and Ce deposited on the surface of the sample. The mean free path for spin-exchange scattering is found to be (12.5 ± 1.5) Å in Ni and (3.2 ± 1) Å in Ce. The depolarization by Ce is found to be identical at 300 and 4 K. It is concluded that the occupancy of the 4? shell of the Ce atoms is similar at both temperatures.     

Collective mode dispersions of organic chain compounds

We investigate the collective mode dispersions for the tight-binding dielectric matrix with two one-dimensional electron bands per donor and acceptor chains, and the three-dimensional long-range Coulomb electron-electron interaction within the random phase approximation. The hybridized collective modes are the result of the strong coupling between the intraband plasmon and the interband dipolar modes due to strong dipole Coulomb interactions. Our calculations show the existence of the low-energy renormalized plasmon mode above the electron-hole quasi-continuum in the long wavelength limit. The obtained modes are brought into correspondence with the optical data of quasi-one-dimensional organic conductor tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ). Namely, the renormalized plasmon and the dipolar mode are assigned to the observed excitations at respective energy scales of roughly 10 meV and 0.75 eV, explaining why lower excitation is eliminated while higher excitation persists below the temperature of the Peierls phase transition.     

Observation of B(+)-->phiphiK(+) and evidence for B(0)-->phiphiK(0) below eta(c) threshold

We report measurements of the decays B(+)-->phiphiK(+) and B(0)-->phiphiK(0) using a sample of 231 x 10(6) BB pairs collected with the BABAR detector at the PEP-II asymmetric-energy B factory at the Stanford Linear Accelerator Center. The branching fractions are measured to be B(B(+)-->phiphiK(+))=(7.5+/-1.0(stat)+/-0.7(syst)) x 10(-6) and B(B(0)-->phiphiK(0))=(4.1(-1.4)(+1.7)(stat)+/-0.4(syst)) x 10(-6) for a phiphi invariant mass below 2.85 GeV/c(2).     

Observation of an excited charm baryon Omega c* decaying to Omega c0gamma

We report the first observation of an excited singly charmed baryon Omega c* (css) in the radiative decay Omega c0gamma, where the Omega c0 baryon is reconstructed in the decays to the final states Omega(-)pi+, Omega(-)pi+pi0, Omega(-)pi+pi(-)pi+, and Xi(-)K(-)pi+pi+. This analysis is performed using a data set of 230.7 fb(-1) collected by the BABAR detector at the PEP-II asymmetric-energy B factory at the Stanford Linear Accelerator Center. The mass difference between the Omega c* and the Omega c0 baryons is measured to be 70.8+/-1.0(stat)+/-1.1(syst) MeV/c2. We also measure the ratio of inclusive production cross sections of Omega c* and Omega c0 in e+e(-) annihilation.     

Measurement of the B-->pi l nu branching fraction and determination of absolute value of V(ub) with tagged B mesons

We report a measurement of the B-->pi l nu branching fraction based on 211 fb(-1) of data collected with the BABAR detector. We use samples of B0 and B+ mesons tagged by a second B meson reconstructed in a semileptonic or hadronic decay and combine the results assuming isospin symmetry to obtain B(B(0)-->pi- l+ nu) = (1.33+/-0.17stat+/-0.11syst) x 10(-4). We determine the magnitude of the Cabibbo-Kobayashi-Maskawa matrix element absolute value V(ub) by combining the partial branching fractions measured in ranges of the momentum transfer squared and theoretical calculations of the form factor. Using a recent lattice QCD calculation, we find absolute value V(ub) = (4.5+/-0.5stat+/-0.3syst(+0.7) -0.5FF x 10(-3), where the last error is due to the normalization of the form factor.     

Measurement of the branching fraction and photon energy moments of B-->Xs gamma and A(CP)(B --> X(s+d gamma))

The photon spectrum in B-->Xs gamma decay, where Xs is any strange hadronic state, is studied using a data sample of 88.5 x 10(6) e+ e- --> Upsilon(4S) --> BB decays collected by the BABAR experiment at the Stanford Linear Accelerator Center. The partial branching fraction, DeltaB(B --> Xs gamma) = (3.67+/-0.29(stat)+/-0.34(syst)+/-0.29(model)) x 10(-4), the first moment = 2.288+/-0.025+/-0.017+/-0.015 GeV, and the second moment E2(gamma) = 0.0328+/-0.0040+/-0.0023+/-0.0036 GeV2 are measured for the photon energy range 1.9 GeV < E gamma < 2.7 GeV. They are also measured for narrower E gamma ranges. The moments are then fit to recent theoretical calculations to extract the heavy quark expansion parameters m(b) and mu2(pi) and to extrapolate the partial branching fraction to E gamma > 1.6 GeV. In addition, the direct CP asymmetry A(CP)(B-->X(s+d gamma) is measured to be -0.110+/-0.115(stat)+/-0.017(syst).     

The structural instabilities in ferronematic based on liquid crystal with negative diamagnetic susceptibility anisotropy

The studied ferronematic is a nematic liquid crystal (ZLI1695) of low negative anisotropy of the diamagnetic susceptibility (χ_a<0) doped with the magnetic particles Fe₃O₄. Structural instabilities are interpreted within Burylov and Raikher's theory. The high magnetic fields were oriented perpendicular (Freedericksz transition) or parallel to the initial director. Using capacitance measurements the Freedericksz threshold magnetic field of the ferronematic B_FN, and the critical magnetic field B_max, at which the initial parallel orientation between the director and the magnetic moment of magnetic particles breaks down, have been determined. The values of these quantities have been used to estimate the surface density of the anchoring energy W of liquid crystal molecules on the surface of the magnetic particles. The obtained values indicate a soft anchoring of the liquid crystal on the magnetic particles with a preferred parallel orientation of the magnetic moment of magnetic particles and the director.     

Kinetic analysis of the reaction between (V2O5)n=1,2+ and ethylene

A systematic experimental and theoretical investigation of the influence of reactant energy on the reactivity of (V(2)O(5))(n)=1,2(+) clusters with ethylene (Justes, D. R.; Mitri?, R.; Moore, N. A.; Bonaci?-Koutecky, V.; Castleman, A. W., Jr. J. Am. Chem. Soc., 2003, 125, 6289) provided evidence of the rate controlling steps in the reaction. Herein, we present further experimental and theoretical evidence for our recently proposed radical cation mechanism for oxygen atom transfer from (V(2)O(5))(n)=1,2(+) clusters to ethylene. In particular the results of ab initio molecular dynamics simulations are found to further support the radical cation mechanism. Experimental reaction cross sections at the zero pressure limit and rate coefficients show that the energy dependence of the reaction cross section is in accord with the Langevin formula. Evidence is presented that ion-molecule association is the rate determining step, whereas subsequent hydrogen transfer and formation of acetaldehyde proceed without significant barriers. We propose a kinetic model for the reaction cross section that fully accounts for the experimental findings. The model offers the prospect of elucidating the details of the general reaction mechanisms through a study of the energy dependence of the reaction cross sections.