Ion-water clusters, bulk medium effects, and ion hydration

Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free energy of the ion. Often the hydration calculations use a continuum model of the solvent. The primitive quasichemical approximation to the quasichemical theory provides a transparent framework to anchor such efforts. Here we evaluate the approximations inherent in the primitive quasichemical approach and elucidate the different roles of the bulk medium. We find that the bulk medium can stabilize configurations of the cluster that are usually not observed in the gas phase, while also simultaneously lowering the excess chemical potential of the ion. This effect is more pronounced for soft ions. Since the coordination number that minimizes the excess chemical potential of the ion is identified as the optimal or most probable coordination number, for such soft ions, the optimum cluster size and the hydration thermodynamics obtained without account of the bulk medium on the ion-water clustering reaction can be different from those observed in simulations of the aqueous ion. The ideas presented in this work are expected to be relevant to experimental studies that translate thermochemistry of ion-water clusters to the thermodynamics of the hydrated ion and to evolving theoretical approaches that combine high-level calculations on clusters with coarse-grained models of the medium

The apparent British sea slope is caused by systematic errors in the levelling-based vertical datum

The spirit-levelling–based British vertical datum (Ordnance Datum Newlyn) implies a south–north apparent slope in mean sea level of up to 53 mm deg–1 latitude, due to the datum falling on heading northwards. Although this apparent slope has been investigated since the 1960s, explanations of its origin have remained inconclusive. It has also been suggested that, rather than a slope, the British vertical datum includes a step of about 240 mm affecting all sites north of about 53°N. In either case, the British vertical datum may be of limited use for any study requiring accurate heights or changes in heights, such as testing geoid models, groundwater and hydrocarbon extraction, the calibration and validation of satellite-based digital terrain models, and the unification of vertical datums internationally. Within the last decade, however, based on an apparent reduction in the slope to only −12 mm deg–1 latitude with respect to recent geoid models, it has been claimed that the British vertical datum does provide a physically meaningful surface for use in scientific applications.In this paper, we reinvestigate the presence of apparent south–north sea slopes around Britain and reported slopes in the vertical datum, using the EGM2008 global gravitational model, together with mean sea level and GPS data from British tide gauges, GPS ellipsoidal heights of 178 fundamental benchmarks across mainland Britain, and vertical deflection observations at 192 stations. We demonstrate a south–north slope in the British vertical datum of −(20–25) mm deg–1 latitude with respect to both mean sea level (corrected for the ocean's mean dynamic topography and the inverse barometer response to atmospheric pressure loading) and the EGM2008 quasigeoid model, while EGM2008 is shown to exhibit a negligible slope of (2 ± 4) mm deg–1 with respect to mean sea level. It is clear, therefore, that the slope can only arise from systematic errors in the levelling, although we are unable to isolate their exact origin. Using an offset detection method based on a penalized likelihood maximization using the Schwarz Information Criterion, we do not detect a step in the vertical datum affecting all sites north of 53°N, but do identify regional distortions that we attribute to the inhomogeneity in both the levelling data used and the least squares adjustment procedures used to realize the datum. We conclude that the British vertical datum remains unsuitable for scientific purposes

Observation of two new Ξb−\Xi_b^- baryon resonances

Two structures are observed close to the kinematic threshold in the $\Xi_b^0 \pi^-$ mass spectrum in a sample of proton-proton collision data, corresponding to an integrated luminosity of 3.0 fb$^{-1}$ recorded by the LHCb experiment. In the quark model, two baryonic resonances with quark content $bds$ are expected in this mass region: the spin-parity $J^P = \frac{1}{2}^+$ and $J^P=\frac{3}{2}^+$ states, denoted $\Xi_b^{\prime -}$ and $\Xi_b^{*-}$. Interpreting the structures as these resonances, we measure the mass differences and the width of the heavier state to be $m(\Xi_b^{\prime -}) - m(\Xi_b^0) - m(\pi^{-}) = 3.653 \pm 0.018 \pm 0.006$ MeV$/c^2$, $m(\Xi_b^{*-}) - m(\Xi_b^0) - m(\pi^{-}) = 23.96 \pm 0.12 \pm 0.06$ MeV$/c^2$, $\Gamma(\Xi_b^{*-}) = 1.65 \pm 0.31 \pm 0.10$ MeV, where the first and second uncertainties are statistical and systematic, respectively. The width of the lighter state is consistent with zero, and we place an upper limit of $\Gamma(\Xi_b^{\prime -}) < 0.08$ MeV at 95% confidence level. Relative production rates of these states are also reported.Comment: 17 pages, 2 figure

Observation of an Excited Bc+ State

Using pp collision data corresponding to an integrated luminosity of 8.5 fb-1 recorded by the LHCb experiment at center-of-mass energies of s=7, 8, and 13 TeV, the observation of an excited Bc+ state in the Bc+π+π- invariant-mass spectrum is reported. The observed peak has a mass of 6841.2±0.6(stat)±0.1(syst)±0.8(Bc+) MeV/c2, where the last uncertainty is due to the limited knowledge of the Bc+ mass. It is consistent with expectations of the Bc∗(2S31)+ state reconstructed without the low-energy photon from the Bc∗(1S31)+→Bc+γ decay following Bc∗(2S31)+→Bc∗(1S31)+π+π-. A second state is seen with a global (local) statistical significance of 2.2σ (3.2σ) and a mass of 6872.1±1.3(stat)±0.1(syst)±0.8(Bc+) MeV/c2, and is consistent with the Bc(2S10)+ state. These mass measurements are the most precise to date

Study of B−→DK−π+π−B^{-}\to DK^-\pi^+\pi^- and B−→Dπ−π+π−B^-\to D\pi^-\pi^+\pi^- decays and determination of the CKM angle γ\gamma

We report a study of the suppressed $B^-\to DK^-\pi^+\pi^-$ and favored $B^-\to D\pi^-\pi^+\pi^-$ decays, where the neutral $D$ meson is detected through its decays to the $K^{\mp}\pi^{\pm}$ and CP-even $K^+K^-$ and $\pi^+\pi^-$ final states. The measurement is carried out using a proton-proton collision data sample collected by the LHCb experiment, corresponding to an integrated luminosity of 3.0~fb$^{-1}$. We observe the first significant signals in the CP-even final states of the $D$ meson for both the suppressed $B^-\to DK^-\pi^+\pi^-$ and favored $B^-\to D\pi^-\pi^+\pi^-$ modes, as well as in the doubly Cabibbo-suppressed $D\to K^+\pi^-$ final state of the $B^-\to D\pi^-\pi^+\pi^-$ decay. Evidence for the ADS suppressed decay $B^{-}\to DK^-\pi^+\pi^-$, with $D\to K^+\pi^-$, is also presented. From the observed yields in the $B^-\to DK^-\pi^+\pi^-$, $B^-\to D\pi^-\pi^+\pi^-$ and their charge conjugate decay modes, we measure the value of the weak phase to be $\gamma=(74^{+20}_{-19})^{\rm o}$. This is one of the most precise single-measurement determinations of $\gamma$ to date.Comment: 22 pages, 9 figures; All figures and tables, along with any supplementary material and additional information, are available at https://lhcbproject.web.cern.ch/lhcbproject/Publications/LHCbProjectPublic/LHCb-PAPER-2015-020.htm

Observation of the Bs0→η′η′B^0_s\to\eta'\eta' decay

The first observation of the $B^0_s\to\eta'\eta'$ decay is reported. The study is based on a sample of proton-proton collisions corresponding to $3.0$ ${\rm fb^{-1}}$ of integrated luminosity collected with the LHCb detector. The significance of the signal is $6.4$ standard deviations. The branching fraction is measured to be $[3.31 \pm 0.64\,{\rm (stat)} \pm 0.28\,{\rm (syst)} \pm 0.12\,{\rm (norm)}]\times10^{-5}$, where the third uncertainty comes from the $B^{\pm}\to\eta' K^{\pm}$ branching fraction that is used as a normalisation. In addition, the charge asymmetries of $B^{\pm}\to\eta' K^{\pm}$ and $B^{\pm}\to\phi K^{\pm}$, which are control channels, are measured to be $(-0.2 \pm1.3)\%$ and $(+1.7\pm1.3)\%$, respectively. All results are consistent with theoretical expectations

First observation and amplitude analysis of the B−→D+K−π−B^{-}\to D^{+}K^{-}\pi^{-} decay

The $B^{-}\to D^{+}K^{-}\pi^{-}$ decay is observed in a data sample corresponding to $3.0~\rm{fb}^{-1}$ of $pp$ collision data recorded by the LHCb experiment during 2011 and 2012. Its branching fraction is measured to be ${\cal B}(B^{-}\to D^{+}K^{-}\pi^{-}) = (7.31 \pm 0.19 \pm 0.22 \pm 0.39) \times 10^{-5}$ where the uncertainties are statistical, systematic and from the branching fraction of the normalisation channel $B^{-}\to D^{+}\pi^{-}\pi^{-}$, respectively. An amplitude analysis of the resonant structure of the $B^{-}\to D^{+}K^{-}\pi^{-}$ decay is used to measure the contributions from quasi-two-body $B^{-}\to D_{0}^{*}(2400)^{0}K^{-}$, $B^{-}\to D_{2}^{*}(2460)^{0}K^{-}$, and $B^{-}\to D_{J}^{*}(2760)^{0}K^{-}$ decays, as well as from nonresonant sources. The $D_{J}^{*}(2760)^{0}$ resonance is determined to have spin~1.Comment: 39 pages, 10 figures, submitted to Phys. Rev. D. Updated following erratum 10.1103/PhysRevD.93.11990

Differential branching fraction and angular analysis of Λb0→Λμ+μ−\Lambda^{0}_{b} \rightarrow \Lambda \mu^+\mu^- decays

The differential branching fraction of the rare decay $\Lambda^{0}_{b} \rightarrow \Lambda \mu^+\mu^-$ is measured as a function of $q^{2}$, the square of the dimuon invariant mass. The analysis is performed using proton-proton collision data, corresponding to an integrated luminosity of 3.0 \mbox{ fb}^{-1}, collected by the LHCb experiment. Evidence of signal is observed in the $q^2$ region below the square of the $J/\psi$ mass. Integrating over 15 < q^{2} < 20 \mbox{ GeV}^2/c^4 the branching fraction is measured as d\mathcal{B}(\Lambda^{0}_{b} \rightarrow \Lambda \mu^+\mu^-)/dq^2 = (1.18 ^{+ 0.09} _{-0.08} \pm 0.03 \pm 0.27) \times 10^{-7} ( \mbox{GeV}^{2}/c^{4})^{-1}, where the uncertainties are statistical, systematic and due to the normalisation mode, $\Lambda^{0}_{b} \rightarrow J/\psi \Lambda$, respectively. In the $q^2$ intervals where the signal is observed, angular distributions are studied and the forward-backward asymmetries in the dimuon ($A^{l}_{\rm FB}$) and hadron ($A^{h}_{\rm FB}$) systems are measured for the first time. In the range 15 < q^2 < 20 \mbox{ GeV}^2/c^4 they are found to be A^{l}_{\rm FB} = -0.05 \pm 0.09 \mbox{ (stat)} \pm 0.03 \mbox{ (syst)} and A^{h}_{\rm FB} = -0.29 \pm 0.07 \mbox{ (stat)} \pm 0.03 \mbox{ (syst)}.Comment: 27 pages, 10 figures, Erratum adde