The hyperbolic chemical bond: Fourier analysis of ground and first excited state potential energy curves of HX (X = H-Ne)

RHF/aug-cc-pVnZ, UHF/aug-cc-pVnZ, and QCISD/aug-cc-pVnZ, n = 2-5, potential energy curves of H2 X (1) summation g (+) are analyzed by Fourier transform methods after transformation to a new coordinate system via an inverse hyperbolic cosine coordinate mapping. The Fourier frequency domain spectra are interpreted in terms of underlying mathematical behavior giving rise to distinctive features. There is a clear difference between the underlying mathematical nature of the potential energy curves calculated at the HF and full-CI levels. The method is particularly suited to the analysis of potential energy curves obtained at the highest levels of theory because the Fourier spectra are observed to be of a compact nature, with the envelope of the Fourier frequency coefficients decaying in magnitude in an exponential manner. The finite number of Fourier coefficients required to describe the CI curves allows for an optimum sampling strategy to be developed, corresponding to that required for exponential and geometric convergence. The underlying random numerical noise due to the finite convergence criterion is also a clearly identifiable feature in the Fourier spectrum. The methodology is applied to the analysis of MRCI potential energy curves for the ground and first excited states of HX (X = H-Ne). All potential energy curves exhibit structure in the Fourier spectrum consistent with the existence of resonances. The compact nature of the Fourier spectra following the inverse hyperbolic cosine coordinate mapping is highly suggestive that there is some advantage in viewing the chemical bond as having an underlying hyperbolic nature.     

Practical synthesis of (Z)-polyaromatic and heteroaromatic vinylacetylenes

[reaction: seet text] Two synthetic routes to several (Z)-polyaromatic and heteroaromatic substituted vinylacetylenes are described. The nature of aryl- or heteroaryl-substituted carboxaldehyde used as starting material dictated the choice of Wittig salt employed. A very attractive way to construct polyaromatic and pyridine-containing enynes is the reaction of polyaromatic and pyridine-containing aldehydes with bromomethyltriphenylphosphonium bromide in the presence of potassium tert-butoxide followed by a Sonogashira desilylation procedure (method B).     

Evidence for B+ --> K0K+ and B0 --> K0K0, and measurement of the branching fraction and search for direct CP violation in B+ --> K0pi+

We present evidence for the b --> d penguin-dominated decays B+ --> K0K+ and B0 --> K0K0 in 227 x 10(6) Y(4S) --> BB decays collected with the BABAR detector. We measure the branching fractions B(B+ --> K0K+) = (1.5 +/- 0.5 +/- 0.1) x 10(-6)(< 2.4 x 10(-6)) and B(B0 --> K0K0) = [formula: see text], where the uncertainties are statistical and systematic, respectively. We also present improved measurements of the charge-averaged branching fraction B(B+ --> K0pi+) = (26.0 +/- 1.3 +/- 1.0) x 10(-6) and CP-violating charge asymmetry A(CP) (K0pi+) = -0.09 +/- 0.05 +/- 0.01), where the uncertainties are statistical and systematic, respectively.     

Origin of self-reversed thermoremanent magnetization

The ability of certain magnetic minerals to acquire a remanent magnetization that opposes the direction of the Earth's magnetic field has fascinated rock magnetists since its discovery in 1951. Here, we determine the origin of this phenomenon, which is termed self-reversed thermoremanent magnetization (SR-TRM). We present direct transmission electron microscopy observations of negative exchange coupling across antiphase domain boundaries (APBs) in ilmenite-hematite. This coupling is linked intrinsically to the origin of SR-TRM and is responsible for the formation of two new classes of magnetic domain wall at APBs. We present simulations of the chemical and magnetic structure of the APBs and show that SR-TRM is generated by coupling between strongly ferrimagnetic Ti-rich domains and weakly ferrimagnetic Fe-rich domains, which form during the transition from short- to long-range cation order.     

Search for strange-pentaquark production in e+e- annihilation at sqrt[s] = 10.58 GeV

We search for strange-pentaquark states that have been previously reported by other experiments--the Theta (1540)(+), Xi(5)(1860)(--), and Xi(5)(1860)(0)--in 123 fb(-1) of data recorded with the BABAR detector at the PEP-II e(+)e(-) storage ring. We find no evidence for these states and set 95% confidence level upper limits on the number of Theta(1540)(+) and Xi(5)(1860)(--) pentaquarks produced per e(+)e(-) annihilation into qq and Gamma(4S) decay. For qq events the Theta(1540)(+) [Xi(5)(1860)(--)] limit is about 8 [4] times lower than the rates measured for ordinary baryons of similar mass.     

Two-dimensional melting transition observed in a block copolymer

We report the observation of two-dimensional melting in a monolayer film of a sphere-forming diblock copolymer. By annealing in a well-controlled temperature gradient we obtain a complete record of the transition from a low-temperature hexatic phase to a high-temperature liquid in a single experiment. We investigate the temperature dependence of the orientational and translational correlation lengths, as well as of the topological defect density. All evidence suggests that the melting transition is first-order, but correlations in the liquid phase indicate the existence of an underlying second-order transition preempted by the first-order freezing.     

Branching fractions and CP asymmetries in B0-->pi0pi0, B+-->pi+pi0, and B+-->K+pi0 decays and isospin analysis of the B-->pipi system

Based on a sample of 227 x 10(6) BB pairs collected by the BABAR detector at the PEP-II asymmetric-energy B Factory at SLAC, we measure the branching fraction B(B0-->pi(0)pi(0))=(1.17+/-0.32+/-0.10)x10(-6), and the asymmetry Cpi(0)(pi(0))=-0.12+/-0.56+/-0.06. The B0-->pi(0)pi(0) signal has a significance of 5.0 sigma. We also measure B(B+-->pi(+)pi(0))=(5.8+/-0.6+/-0.4)x10(-6), B(B+-->K+pi(0))=(12.0+/-0.7+/-0.6)x10(-6), and the charge asymmetries Api(+)(pi(0))=-0.01+/-0.10+/-0.02 and AK+(pi(0))=0.06+/-0.06+/-0.01. Using isospin relations, we find an upper bound on the angle difference |alpha-alpha(eff)| of 35 degrees at the 90% C.L.     

Catastrophic Fermi surface reconstruction in the shape-memory alloy AuZn

AuZn undergoes a shape-memory transition at 67 K. The de Haas-van Alphen effect persists to 100 K enabling the observation of a change in the quantum oscillation spectrum indicative of a catastrophic Fermi surface reconstruction at the transition. The coexistence of both Fermi surfaces at low temperatures suggests an intrinsic phase separation in the bulk of the material. In addition, Dingle analysis reveals a sharp change in the scattering mechanism at a threshold cyclotron radius, attributable to the underlying microstructure driving the shape-memory effect.     

Search for radiative penguin decays B(+)-->rho(+)gamma, B(0)-->rho(0)gamma, and B(0)-->omegagamma

A search for the decays B-->rho(770)gamma and B0-->omega(782)gamma is performed on a sample of 211 x 10(6) Upsilon(4S)-->BB events collected by the BABAR detector at the SLAC PEP-II asymmetric-energy e(+)e(-) storage ring. No evidence for the decays is seen. We set the following limits on the individual branching fractions: B(B+-->rho(+)gamma)<1.8 x 10(-6), B(B0-->rho(0)gamma)<0.4 x 10(-6), and B(B0-->omegagamma)<1.0 x 10(-6) at the 90% confidence level. We use the quark model to limit the combined branching fraction B [B-->(rho/omega)gamma]<1.2 x 10(-6), from which we determine a constraint on the ratio of Cabibbo-Kobayashi-Maskawa matrix elements |V(td)|/|V(ts)|.