Estimations of OH·N hydrogen bond length from positions and intensities of IR bands.

In this computational work applicability of IR spectral parameters for evaluations of OH···N hydrogen bond length is discussed. For a set of 124 complexes with OH···N hydrogen bond formed by combinations of methanol/acetic acid and pyridine (and their fluorine substituted versions) geometries, energies and IR parameters were calculated at MP2/def2-TZVP level of theory. For a number of IR parameters (the shift of proton donor group stretching vibration Δνs, increase of its intensity I, the low-frequency hydrogen bond stretching vibration νσ, bending in-plane δ and out-of-plane γ vibrations) equations linking them with interatomic distances are proposed, the robustness and accuracy of such equations are discussed. The enthalpy of OH···N hydrogen bond formation ΔH was also linked with electron density parameters in (3; -1) critical point.

Cyclic trimers of phosphinic acids in polar aprotic solvent: symmetry, chirality and H/D isotope effects on NMR chemical shifts.

The hydrogen-bonded self-associates of dimethylphosphinic (1), diphenylphosphoric (2), phenylphosphinic (3), and bis(2,4,4-trimethylpentyl)phosphinic (4) acids have been studied by using liquid-state NMR down to 100 K in a low-freezing polar solvent, CDF3/CDClF2. The H/D isotope effects on 1H NMR chemical shifts caused by partial deuteration of hydroxyl groups unambiguously reveal the stoichiometry of the self-associates and the cooperativity of their hydrogen bonds. In all cases, cyclic trimers are the dominant form, while cyclic dimers are present as a minor form for 1 and 2. Due to the asymmetry of substituents, cyclic trimers of 3 exist in two isomeric forms, depending on the orientation of the phenyl groups with respect to the plane of the hydrogen bonds. The racemic mixture of 4 leads to the coexistence of up to 64 isomers of cyclic trimers, many of which are chemically equivalent or effectively isochronous. The mole fractions of such isomers deviate from the statistically expected values. This feature could provide information about the relative stabilization energies of hydrogen-bonded chiral self-associates. The complexation of 4 with SbCl5 (complex 5) suppresses the self-association and 5 exists exclusively in the monomeric form with chemically non-equivalent 31P nuclei in RS, SR and RR/SS forms.

The NSCL electron beam ion trap for the reacceleration of rare isotopes coming to life: first extraction tests with a high-current electron gun.

NSCL is currently constructing the ReA3 reaccelerator, which will accelerate rare isotopes obtained from gas stopping of fast-fragment beams to energies of up to 3 MeV/u for uranium and higher for lighter ions. A high-current charge breeder, based on an electron beam ion trap (EBIT), has been chosen as the first step in the acceleration process, as it has the potential to efficiently produce highly charged ions in a single charge state. These ions are fed into a compact linear accelerator consisting of a radio frequency quadrupole structure and superconducting cavities. The NSCL EBIT has been fully designed with most of the parts constructed. The design concept of the EBIT and results from initial commissioning tests of the electron gun and collector with a temporary 0.4 T magnet are presented.

A high-current electron beam ion trap as a charge breeder for the reacceleration of rare isotopes at the NSCL.

Reacceleration of low-energy rare isotope beams available from gas stopping of fast-fragment beams or from an ISOL target station to energies in the range of 0.3-12 MeV/nucleon is needed for experiments such as low-energy Coulomb excitation and transfer reaction studies and for the precise study of astrophysical reactions. The implementation of charge breeding as a first step in a reaccelerator is a key to obtaining a compact and cost-efficient reacceleration scheme. For highest efficiency it is essential that single charge states are obtained in a short breeding time. A low-emittance beam must be delivered. An electron beam ion trap (EBIT) has the potential to meet these requirements. An EBIT-based charge breeder is presently under design and construction at the NSCL as part of the construction of a reaccelerator for stopped beams from projectile fragmentation. This new facility will have the potential to provide low-energy rare isotope beams not yet available elsewhere.

Exotic meson decay to omegapi0pi-.

A partial-wave analysis of the mesons from the reaction pi(-)p --> pi(+)pi(-)pi(-)pi(0)pi(0)p has been performed. The data show b(1)pi decay of the spin-exotic states pi(1)(1600) and pi(1)(2000). Three isovector 2(-+) states were seen in the omegarho(-) decay channel. In addition to the well known pi(2)(1670), signals were also observed for pi(2)(1880) and pi(2)(1970).

Recent enhancements to the MARS15 code.

The MARS code is under continuous development and has recently undergone substantial improvements that further increase its reliability and predictive power in numerous shielding, accelerator, detector and space applications. The major developments and new features of the MARS15 (2004) version described in this paper concern an extended list of elementary particles and arbitrary heavy ions and their interaction cross sections, inclusive and exclusive nuclear event generators, module for modelling particle electromagnetic interactions, enhanced geometry and histogramming options, improved MAD-MARS Beam Line Builder, enhanced graphical user interface and an MPI-based parallelisation of the code.

Parallelising the MARS15 code with MPI for shielding applications.

The MARS15 Monte Carlo code capabilities to deal with time-consuming deep penetration shielding problems and other computationally tough tasks in accelerator, detector and shielding applications, have been enhanced by a parallel processing option. It has been developed, implemented and tested on the Fermilab Accelerator Division Linux cluster and network of Sun workstations. The code uses a message passing interface MPI. It is scalable and demonstrates good performance. The general architecture of the code, specific uses of message passing and effects of a scheduling on the performance and fault tolerance are described.

Branching fraction and photon energy spectrum for b --> s gamma.

We have measured the branching fraction and photon energy spectrum for the radiative penguin process b-->s gamma. We find Beta(b-->s gamma) = (3.21+/-0.43+/-0.27(+0.18)(-0.10))x10(-4), where the errors are statistical, systematic, and from theory corrections. We obtain first and second moments of the photon energy spectrum above 2.0 GeV, = 2.346+/-0.032+/-0.011 GeV, and -(2) = 0.0226+/-0.0066+/-0.0020 GeV(2), where the errors are statistical and systematic. From the first moment, we obtain (in the modified minimal subtraction renormalization scheme, to order 1/M(3)(B) and beta(0)alpha(2)(s)) the heavy quark effective theory parameter Lambda = 0.35+/-0.08+/-0.10 GeV.

Hadronic mass moments in inclusive semileptonic B meson decays.

We have measured the first and second moments of the hadronic mass-squared distribution in B-->X(c)l nu, for P(lepton)>1.5 GeV/c. We find = 0.251+/-0.066 GeV(2), <(M(2)(X)-)(2)> = 0.576+/-0.170 GeV(4), where M macro(D) is the spin-averaged D meson mass. From that first moment and the first moment of the photon energy spectrum in b-->s gamma, we find the heavy quark effective theory parameter lambda(1) (in the modified minimal subtraction renormalization scheme, to order 1/M(3)(B) and beta(0)alpha(2)(s)) to be -0.24+/-0.11 GeV(2). Using these first moments and the B semileptonic width, and assuming parton-hadron duality, we obtain absolute value of V(cb) = 0.0404+/-0.0013.

Search for the decay upsilon(1S) --> gammaeta(').

We report on a search for the radiative decay Upsilon(1S)-->gammaeta(') in 61.3 pb(-1) of data taken with the CLEO II detector at the Cornell Electron Storage Ring. Three decay chains were investigated, all involving eta(')-->pi(+)pi(-)eta, followed by eta-->gammagamma, eta-->pi(0)pi(0)pi(0), or eta-->pi(+)pi(-)pi(0). We find no candidate events in any of the three cases and set a combined upper limit of 1.6x10(-5) at 90% C.L., significantly smaller than the previous limit. We compare our result to other radiative Upsilon decays, to radiative J/psi decays, and to theoretical predictions.

Observation of new states decaying into Lambda+(c)pi(-)pi(+).

Using 13.7 fb(-1) of data recorded by the CLEO detector at the Cornell Electron Storage Ring, we investigate the spectrum of charmed baryons which decay into Lambda+(c)pi(-)pi(+) and are more massive than the Lambda+(c)(2625) baryon. We find evidence for two new states: one is broad and has an invariant mass roughly 480 MeV above that of the Lambda+(c) baryon; the other is narrow with an invariant mass of 596+/-1+/-2 MeV above the Lambda+(c) mass.

Observation of the Omega(0)(c) Charmed Baryon at CLEO.

The CLEO experiment at the CESR collider has used 13.7 fb(-1) of data to search for the production of the Omega(0)(c) (css ground state) in e(+)e(-) collisions at square root of (s) approximately 10.6 GeV. The modes used to study the Omega(0)(c) are Omega(-)pi(+), Omega(-)pi(+)pi(0), Xi-K-pi(+)pi(+), Xi0K-pi(+), and Omega(-)pi(+)pi(+)pi(-). We observe a signal of 40.4+/-9.0(stat) events at a mass of 2694.6+/-2.6(stat)+/-1.9(syst) MeV/c(2), for all modes combined.

Observation of exotic meson production in the reaction pi- p --> eta'pi- p at 18 GeV/c.

An amplitude analysis of an exclusive sample of 5765 events from the reaction pi- p-->eta'pi- p at 18 GeV/c is described. The eta'pi- production is dominated by natural parity exchange and by three partial waves: those with J(PC) = 1(-+), 2(++), and 4(++). A mass-dependent analysis of the partial-wave amplitudes indicates the production of the a2(1320) meson as well as the a4(2040) meson, observed for the first time decaying to eta'pi-. The dominant, exotic (non- qq) 1(-+) partial wave is shown to be resonant with a mass of 1.597+/-0.010(+0.045)(-0.010) GeV/c2 and a width of 0.340+/-0.040+/-0.050 GeV/c2. This exotic state, the pi1(1600), is produced with a t dependence which is different from that of the a2(1320) meson, indicating differences between the production mechanisms for the two states.