Theoretical investigation of the formation of the tropylium ion from the toluene radical cation

The formation of the tropylium ion, C₇H₇⁺, in the mass spectrum of toluene is a chemical process that has been extensively studied. There is, however, still debate as to the structure of the moieties and the reaction pathways involved. This work presents the first computationally complete reaction schemes for the formation of tropylium from toluene to be reported. The calculations were performed at the HF/6‐31G(d, p) and the DFT/B3LYP/6‐311++G(2d) levels of theory using Gaussian 03W. The previously unreported optimized structures and energies for a transition state and an intermediate in one scheme and a transition state in the other have been determined. These results are consistent with the previously reported literature and the available experimental data. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2009     

Search for hadronic decays of a light Higgs boson in the radiative decay Υ→γA0

We search for hadronic decays of a light Higgs boson (A(0)) produced in radiative decays of an Υ(2S) or Υ(3S) meson, Υ→γA(0). The data have been recorded by the BABAR experiment at the Υ(3S) and Υ(2S) center-of-mass energies and include (121.3±1.2)×10(6) Υ(3S) and (98.3±0.9)×10(6) Υ(2S) mesons. No significant signal is observed. We set 90% confidence level upper limits on the product branching fractions B(Υ(nS)→γA(0))B(A(0)→hadrons) (n=2 or 3) that range from 1×10(-6) for an A(0) mass of 0.3 GeV/c(2) to 8×10(-5) at 7 GeV/c(2).     

A PLZT ceramic T.I.R. diffraction modulator

A total internal reflection modulator is described using a prism of PLZT ceramic exhibiting the quadratic electro-optic effect and giving zero-order extinction at around 100 volts (0.67 kV mm^-1).     

A new upper limit for the branching ratio for the decay η → π0e+e−

We have looked for the decay η → π⁰e⁺e^? in an optical spark chamber experiment at the Rutherford Laboratory. Our observations are consistent with no events being seen and give an upper limit rate (η → π⁰e⁺e^?)/ rate (η → all) < 4.5 × 10^?5 (90% C.L.).     

A measurement of the electromagnetic form factor of the eta meson and of the branching ratio for the eta Dalitz decay

In an optical spark chamber experiment we have obtained a sample of 80 eta Dalitz decays (η → e⁺e^?γ) and have measured the eta electromagnetic form factor to be F(X) = 1.0?(0.22 ±0.45)X, where X=M_ee²/M_η², and the branching ratio (η→e⁺e^?γ/(η→π⁺π^?π⁰)= (0.0082 ± 0.0020).     

Search for f(J)(2220) in radiative J/ψ decays

We present a search for f(J)(2220) production in radiative J/ψ→γf(J)(2220) decays using 460 fb?1 of data collected with the BABAR detector at the SLAC PEP-II e(+)e? collider. The f(J)(2220) is searched for in the decays to K(+)K? and K(S)?K(S)?. No evidence of this resonance is observed, and 90% confidence level upper limits on the product of the branching fractions for J/ψ→γf(J)(2220) and f(J)(2220)→K(+)K?(K(S)?K(S)?) as a function of spin and helicity are set at the level of 10??, below the central values reported by the Mark III experiment.     

A theoretical and experimental study of Sb4O6: vibrational analysis, infrared, and Raman spectra

The first ab initio theoretical study of tetraantimony hexoxide (Sb4O6) is reported. The normal mode frequencies, intensities, and the corresponding vibrational assignments of Sb4O6 in T(d) symmetry were calculated using the GAUSSIAN 98 set of quantum chemistry codes at the Hartree-Fock (HF)/CEP-121G, M?ller-Plesset (MP2)/CEP-121G, and density functional theory (DFT)/B3LYP/CEP-121G levels of theory. By comparison to experimental data deduced by our laboratory and others, correction factors for the calculated vibrational frequencies were determined and compared. Normal modes were decomposed into three non-redundant motions (Sb-O-Sb stretch, Sb-O-Sb bend, and Sb-O-Sb wag). Percent relative errors found for the HF, DFT, and MP2 corrected frequencies when compared to experiment are 5.8, 6.1, and 5.7 cm(-1), respectively. Electron distributions for selected molecular orbitals are also considered.     

Free convection effects and radiative heat transfer in MHD Stokes problem for the flow of dusty conducting fluid through porous medium

The present note deals with the effects of radiative heat transfer and free convection in MHD for a flow of an electrically conducting, incompressible, dusty viscous fluid past an impulsively started vertical non-conducting plate, under the influence of transversely applied magnetic field. The heat due to viscous dissipation and induced magnetic field is assumed to be negligible. The governing linear partial differential equations are solved by finite difference technique. The effects of various parameters (like radiation parameter N, Prandtl number Pr, porosity parameter K) entering into the MHD Stokes problem for flow of dusty conducting fluid have been examined on the temperature field and velocity profile for both the dusty fluid and dust particles.