Scavenging of OH(*) radicals produced from H(2)O sonolysis with nitrate ions

The scavenging of OH(?) radicals formed during H(2)O sonolysis with nitrate-ions was studied in HNO(3)/NaNO(3) mixture at the constant NO(3)(-) ions concentration ([HNO(3)]+[NaNO(3)])=1 M in Ar atmosphere. Small amounts of N(2)H(5)NO(3) was added to solutions to avoid HNO(2) accumulation due to HNO(3) sonolysis. It was shown that the increase of [H(+)] causes the increase of H(2)O(2) formation rate (W(H(2)O(2)). (W(H(2)O(2)) values reach the plateau at [HNO(3)] approximately 1 M. The (W(H(2)O(2)) ratio in solution with [H(+)]=1 M and pure water was found to be equal to 2.4+/-0.4. It was assumed that (W(H(2)O(2)) increase in nitric acid medium is related to the changing of H(2)O(2) formation mechanism. In pure water H(2)O(2) is formed due to the OH(*) radicals recombination. In HNO(3)+NaNO(3) mixture the mechanism of H(2)O(2) formation consists in conversion of OH(*) radicals to NO(3)(*) radicals followed by NO(3)(*) radicals hydrolysis. Results obtained show that OH(*) radicals recombination mainly occurs in the liquid phase surrounding the cavitating bubble.     

Search for the rare decays K(L)→π0π0μ+μ- and K(L)→π0π0X0→π0π0μ+μ-

The KTeV E799 experiment has conducted a search for the rare decays, K(L)→π(0)π(0)μ(+)μ(-) and K(L)→π(0)π(0)X(0)→π(0)π(0)μ(+)μ(-), where the X(0) is a possible new neutral boson that was reported by the HyperCP experiment with a mass of (214.3 ± 0.5) MeV/c(2). We find no evidence for either decay. We obtain upper limits of Br(K(L)→π(0)π(0)X(0)→π(0)π(0)μ(+)μ(-)) < 1.0 × 10(-10) and Br(K(L)→π(0)π(0)μ(+)μ(-)) < 9.2 × 10(-11) at the 90% confidence level. This result rules out the pseudoscalar X(0) as an explanation of the HyperCP result under the scenario that the dsX(0) coupling is completely real.     

Near-Infrared Laser Spectroscopy of TiS: The b(1)Pi-X(3)Delta Transition

Laser-induced fluorescence spectrum of TiS in the 769-863 nm region has been recorded and analyzed. The TiS molecule was produced using the technique of laser vaporization/reaction with supersonic cooling. Twenty-one weak subbands have been assigned as being due to b(1)Pi-X(3)Delta, B(3)Pi(0)-X(3)Delta(1), and C(3)Delta-X(3)Delta transitions. Strong evidence shows that the b(1)Pi state is responsible for perturbing the v = 0, 1, and 2 levels of the C(3)Delta(1) subband. The molecular constants of the b(1)Pi state have been determined as follows: T(e) = 10 589.47 cm(-1), omega(e) = 542.14 cm(-1), omega(e)x(e) = 3.16 cm(-1), B(e) = 0.19568 cm(-1), and alpha(e) = 0.00085 cm(-1). The spin-orbit interaction between the b(1)Pi (v = 2 and 3) and C(3)Delta (v = 1 and 2) levels is discussed in terms of configuration interaction occurring between the b(1)Pi from the 11varsigma(1) 5pi(1) configuration and the (1)Pi from the 5pi(1) 1delta(1) configuration, and the C(3)Delta state from 12varsigma(1) 1delta(1) configuration. Copyright 2000 Academic Press.     

Measurement of the K0 charge radius and a CP-violating asymmetry and a search for CP-violating E1 direct photon emission in the rare decay KL--> pi+ pi- e+ e-

Using the complete KTeV data set of 5,241 candidate K(L)--> pi(+) pi(-) e(+) e(-) decays (including an estimated background of 204 +/- 14 events), we have measured the coupling g(CR)= 0.163 +/- 0.0149(stat) +/- 0.023(syst) of the CP conserving charge radius process and from it determined a K(0) charge radius of = [-0.077 +/- 0.007(stat) +/- 0.011(syst)]fm(2). We have determined a first experimental upper limit of 0.04 (90% C.L.) /g(e1)/ / /g(M1)/ of the couplings for the E1 and M1 direct photon emission processes. We also report the measurement of /g(M1)/ including a vector form factor /g(M1)/(1 + (a(1)/a(2))/((M(2)(p)-(M(2)(k))= 2M(K)E(gamma*)), where vector /g(M1)/= 1.11+/- 0.12(stat) +/- 0.08(syst) and a(1)/a(2) = [-0.744 +/- 0.027(stat) +/- 0.032(syst)] GeV(2)/c(2). Finally, a CP-violating asymmetry of [13.6 +/- 1.4(stat) +/- 1.5(syst)]% in the CP and T odd angle phi between the decay planes of the e(+) e(-) and pi(+) pi(-) pairs in the K(L) center of mass is reported.     

The High-Resolution FTIR Spectrum and Equilibrium Structure of Chloro(sulphido)boron

The FTIR spectrum of chloro(sulphido)boron, Cl-B&bond;S, has been recorded at 0.0035 cm(-1) resolution. The nu(3) bands of the isotopomers (35)Cl(11)B(32)S, (37)Cl(11)B(32)S, (35)Cl(11)B(34)S, (37)Cl(11)B(34)S, (35)Cl(10)B(32)S, (37)Cl(10)B(32)S, and (35)Cl(10)B(34)S have been analyzed to yield effective rotational and centrifugal distortion constants for the ground and a number of excited vibrational states. For the (35)Cl(11)B(32)S isotopomer the nu(1) band has also been analyzed. The rotational constants have been used to determine equilibrium bond lengths of 168.42(8) and 160.14(8) pm for the Cl-B and B-S bonds, respectively. Copyright 2000 Academic Press.     

Ultraviolet upconversion fluorescence in rare-earth-ion-doped Y2O3 induced by infrared diode laser excitation

Room-temperature ultraviolet emission of Tm(3+) ions at 298 ((1)I(6)-->(3)H(6)), 364 ((1)D(2)-->(3)H(6)), and 391 nm ((1)I(6)-->(3)H(5)) was obtained in Y(2)O(3):Yb(3+)-Tm(3+) by continuous-wave diode laser excitation of 980 nm. Power dependence analysis demonstrates that five- and six-photon upconversion processes populate the (1)D(2) and (1)I(6) states, respectively. We believe that the (1)D(2) population originates from the cross relaxation (1)G(4)+(3)F(4)-->(3)H(4)+(1)D(2) of the Tm(3+) ions, while subsequent energy transfer from Yb(3+) to Tm(3+) excites the (1)D(2) state to the upper (1)I(6) state. High multiphoton-induced ultraviolet emission is also expected for other trivalent rare-earth ions similar to Tm(3+).     

Rovibrational Analysis of the nu(2) Band of Diazirine-d(2)

The gas-phase IR spectrum of the nu(2) (A(1), 1610.33 cm(-1)) band of the deuterated isotopomer of diazirine, D(2)CN(2), a three-membered ring compound which belongs to the molecular symmetry point group C(2v), has been studied at a resolution of about 0.005 cm(-1). This vibrational mode which can be approximately described as N&dbond;N stretching is widely perturbed. This is due to various interactions with the tetrad consisting of the binary combinations nu(6) + nu(7) (A(1)), nu(7) + nu(9) (A(2)), nu(5) + nu(6) (B(2)), and nu(5) + nu(9) (B(1)), which form a relatively isolated pentad together with nu(2) in the wavenumber region 1560-1610 cm(-1). A simultaneous upper state analysis of nu(2) from a pentad model including these resonances has been performed and a set of spectroscopic parameters has been obtained. Since the four combination bands of the pentad are dark states, only band centers could be determined; in addition for nu(5) + nu(9) and nu(7) + nu(9) also the term (B - C)/2 has been obtained. A number of Coriolis interaction constants and the vibrational resonance (with nu(6) + nu(7)) parameter have been calculated as well. Copyright 2001 Academic Press.     

Theoretical Study of Collision-Induced Double Transitions in CO(2)-X(2) (X(2) = H(2), N(2), and O(2)) Pairs

The double vibrational collision-induced absorptions CO(2) (nu(3) = 1) + X(2) (nu(1) = 1) <-- CO(2) (nu(3) = 0) + X(2) (nu(1) = 0), for X(2) = H(2), N(2), and O(2) are studied on the basis of quantum lineshapes computed using isotropic potentials and dipole-induced dipole functions. The linestrengths and energies of the vibration-rotation transitions are treated explicitly for X(2) and utilizing the HITRAN database for CO(2). From the frequency-dependent absorption profiles, the integrated absorption intensities are determined to be 7.2 +/- 1.2, 1.2 +/- 0.1, and 1.1 +/- 0.2 (10(-4) cm(-2) amagat(-2)) for the H(2), N(2), and O(2) collision partners, respectively. The integrated intensities for H(2) and N(2) agree well with previously measured and calculated results, while the value for O(2), which represents the first theoretical determination for this absorption, is approximately four times greater than the only experimental measurement (0.29 x 10(-4) cm(-2) amagat(-2)). Copyright 2001 Academic Press.     

Anomalous nernst effects in pyrochlore molybdates with spin chirality

The transverse thermoelectric (Nernst) effect on pyrochlore molybdates is investigated experimentally. In Nd(2)Mo(2)O(7) and Sm(2)Mo(2)O(7) with the spin chirality, the Nernst signal, which mostly arises from the transverse heat current (or equivalently the transverse Peltier coefficient alpha(xy)), shows a low-temperature (20-30 K) positive extremum, whereas it is absent in (Gd(0.95)Ca(0.05))(2)Mo(2)O(7) with no single-spin anisotropy of the rare-earth ion and hence with no spin chirality. The correlation between the Hall conductivity sigma(xy) and alpha(xy) in Nd(2)Mo(2)O(7) also indicates the spin chirality plays a significant role in the spontaneous (anomalous) Nernst effect.     

High-Resolution Study of the (v(1) + 12v(2) + v(3) = 3) Polyad of Strongly Interacting Vibrational Bands of D(2)O

Analysis of the high-resolution Fourier transform spectra of the D(2)O first decade was carried out in the framework of the Hamiltonian model which took into account resonance interactions between the seven states, (300), (201), (102), (003), (220), (121), and (022). Assigned from the experimentally recorded spectrum transitions belonged to the four bands, 2nu(1) + nu(3), 3nu(3), nu(1) + 2nu(2) + nu(3), and 3nu(1), gave the possibility both of obtaining rotational, centrifugal distortion, and resonance interaction parameters of "appeared" states, (201), (003), (121), and (300), and of estimating from the fit band centers, rotational, and resonance interaction parameters of the three "dark" states, (220), (022), and (102). Copyright 2000 Academic Press.     

The v(1)+v(3) Bands of the (16)O(17)O(16)O and (16)O(16)O(17)O Isotopomers of Ozone

Using 0.002 cm(-1) resolution Fourier transform absorption spectra of an (17)O enriched ozone sample, an extensive analysis of the v(1)+v(3) bands of the (16)O(17)O(16)O and (16)O(16)O(17)O isotopomers of ozone has been performed for the first time. The experimental rotational levels of the (101) vibrational states were satisfactorily reproduced using a Hamiltonian matrix that takes into account the observed rovibrational resonances. More precisely, for (16)O(17)O(16)O, as for the other C(2v)-type ozone isotopomers, it was necessary to account for the Coriolis type resonances linking the (101) rotational levels with the levels of the (200) and (002) vibrational states and the Darling-Dennison interaction coupling the levels of (200) with those of (002). For the C(s)-type isotopomer, namely (16)O(16)O(17)O, as for (16)O(16)O(18)O and (16)O(18)O(18)O, it proved necessary to also account for an additional DeltaK(a)&equals+/-2 resonance involving the rotational levels from (101) and (002) (J.-M. Flaud and R. Bacis, Spectrochimica Acta Part A 54, 3-16 (1998)). Using a Hamiltonian matrix which takes these resonances explicitly into account, precise vibrational energies and rotational and coupling constants were deduced, leading to the following band centers: v(0)(v(1)+v(3))=2078.3496 cm(-1) for (16)O(17)O(16)O and v(0)(v(1)+v(3))=2098.8631 cm(-1) for (16)O(16)O(17)O. Copyright 2001 Academic Press.     

Measurement of the branching fractions of exclusive _B-->D(*)(pi)l-_nu l decays in events with a fully reconstructed B meson

We report a measurement of the branching fractions for _B-->D(*)(pi)l- _nu(l) decays based on 341.1 fb(-1) of data collected at the Upsilon(4S) resonance with the BABAR detector at the SLAC PEP-II e+ e- storage rings. Events are tagged by fully reconstructing one of the B mesons in a hadronic decay mode. We obtain B(B- -->D(0)l-_nu(l)=(2.33+/-0.09(stat)+/-0.09(syst)%, B(B- -->D(*0)l-_nu(l)=(5.83+/-0.15(stat) +/-0.30(syst) %, B(_B(0)-->D+l-_nu(l)=(2.21+/-0.11(stat) +/-0.12(syst)%, B(_B(0)-->D(*)l-_nu(l)=(5.49+/-0.16(stat)+/-0.25(syst)%, B(B- -->D+pi-l-_nu(l)=(0.42+/-0.06(stat)+/-0.03(syst)%, B(B- -->D(*)+pi-l-_nu(l)=(0.59+/-0.05(stat)+/-0.04(syst)%, B(_B(0)-->D(0)pi+l-_nu(l)=(0.43+/-0.08(stat)+/-0.03(syst)%, and B(_B(0)-->D(*0)pi+l-_nu(l)=(0.48+/-0.08(stat)+/-0.04(syst)%.     

Search for doubly charged Higgs boson pair production in pp¯ collisions at √s=1.96 TeV

We present a search for pair production of doubly charged Higgs bosons in the processes qqˉ→H(++)H(--) decaying through H(±±)→τ(±)τ(±),μ(±)τ(±),μ(±)μ(±). The search is performed in ppˉ collisions at a center-of-mass energy of √s = 1.96 TeV using an integrated luminosity of up to 7.0 fb(-1) collected by the D0 experiment at the Fermilab Tevatron Collider. The results are used to set 95% C.L. limits on the pair production cross section of doubly charged Higgs bosons and on their mass for different H(±±) branching fractions. Models predicting different H(±±) decays are investigated. Assuming B(H(±±)→τ(±)τ(±))=1 yields an observed (expected) lower limit on the mass of a left-handed H(L)(±±) boson of 128 (116) GeV and assuming B(H(±±)→μ(±)τ(±))=1 the corresponding limits are 144 (149) GeV. In a model with B(H(±±)→τ(±)τ(±))=B(H(±±)→μ(±)τ(±))=B(H(±±)→μ(±)μ(±))=1/3, we obtain M(H(L)(±±))>130 (138) GeV.     

The ionic conductivity in lithium-boron oxide materials and its relation to structural, electronic and defect properties: insights from theory

We review recent theoretical studies on ion diffusion in (Li(2)O)(x)(B(2)O(3))(1-x) compounds and at the interfaces of Li(2)O :B(2)O(3) nanocomposite. The investigations were performed theoretically using DFT and HF/DFT hybrid methods with VASP and CRYSTAL codes. For the pure compound B(2)O(3), it was theoretically confirmed that the low-pressure phase B(2)O(3)-I has space group P3(1)21. For the first time, the structure, stability and electronic properties of various low-index surfaces of trigonal B(2)O(3)-I were investigated at the same theoretical level. The (101) surface is the most stable among the considered surfaces. Ionic conductivity was investigated systematically in Li(2)O, LiBO(2), and Li(2)B(4)O(7) solids and in Li(2)O:B(2)O(3) nanocomposites by calculating the activation energy (E(A)) for cation diffusion. The Li(+) ion migrates in an almost straight line in Li(2)O bulk whereas it moves in a zig-zag pathway along a direction parallel to the surface plane in Li(2)O surfaces. For LiBO(2), the migration along the c direction (E(A) = 0.55 eV) is slightly less preferable than that in the xy plane (E(A) = 0.43-0.54 eV). In Li(2)B(4)O(7), the Li(+) ion migrates through the large triangular faces of the two nearest oxygen five-vertex polyhedra facing each other where E(A) is in the range of 0.27-0.37 eV. A two-dimensional model system of the Li(2)O :B(2)O(3) interface region was created by the combination of supercells of the Li(2)O (111) surface and the B(2)O(3) (001) surface. It was found that the interface region of the Li(2)O:B(2)O(3) nanocomposite is more defective than Li(2)O bulk, which facilitates the conductivity in this region. In addition, the activation energy (E(A )) for local hopping processes is smaller in the Li(2)O :B(2)O(3) nanocomposite compared to the Li(2)O bulk. This confirms that the Li(2)O:B(2)O(3) nanocomposite shows enhanced conductivity along the phase boundary compared to that in the nanocrystalline Li(2)O.     

Infrared Diode Laser Spectrum of the nu(1) Fundamental Band of ClBO

The nu(1) band of ClBO has been recorded using infrared diode laser spectroscopy. The molecule was produced by reacting oxygen atoms, produced in a microwave discharge containing an O(2)/He mixture, with BCl(3). Thirty-three lines of the (35)Cl(11)B(16)O isotopomer and 32 lines due to the (37)Cl(11)B(16)O isotopomer have been assigned. By fixing the ground state constants to those previously obtained by microwave spectroscopy, a least-squares fit (rms = 0.0008) gave the following upper state constants; (35)Cl(11)B(16)O: nu(0) = 1972.18024(21) cm(-1), B(1) = 0.1725055(12) cm(-1); (37)Cl(11)B(16)O: nu(0) = 1971.82846(24) cm(-1), B(1) = 0.1688402(13) cm(-1). The rotational constants of all the fundamental bands of ClBO have been used to calculate an r(e) structure yielding r(e(B-Cl)) = 167.668(26) pm and r(e(B-O)) = 121.308(26) pm. Copyright 2000 Academic Press.     

First observation of the decays B(0) → D(+)K(-)π(+)π(-) and B(-) → D(0)K(-)π(+)π(-)

First observations of the Cabibbo-suppressed decays B(0) → D(+)K(-)π(+)π(-) and B(-) → D(0)K(-)π(+)π(-) are reported using 35 pb(-1) of data collected with the LHCb detector. Their branching fractions are measured with respect to the corresponding Cabibbo-favored decays, from which we obtain B(B(0) → D(+)K(-)π(+)π(-))/B(B(0) → D(+)π(-)π(+)π(-))=(5.9±1.1±0.5)×10(-2) and B(B(-) → D(0)K(-)π(+)π(-))/B(B(-) → D(0)π(-)π(+)π(-))=(9.4±1.3±0.9)×10(-2), where the uncertainties are statistical and systematic, respectively. The B(-) → D(0)K(-)π(+)π(-) decay is particularly interesting, as it can be used in a similar way to B(-) → D(0)K(-) to measure the Cabibbo-Kobayashi-Maskawa phase γ.     

On the magnetic structure of PrMn2O5: a neutron diffraction study

The long-range magnetic ordering of PrMn(2)O(5) has been studied on polycrystalline samples from neutron diffraction and specific heat measurements. The onset of antiferromagnetic ordering is observed at T(N) ≈ 25 K. In the temperature interval 18 K < T < 25 K the magnetic structure is defined by the propagation vector k(1) = (1/2,0,0). Below 18 K, some additional magnetic satellites appear in the NPD patterns, which are indexed with k(2) = (0,0,1/2). Therefore, below 18 K the magnetic structure consists of two independent magnetic domains, defined by the propagation vectors k(1) and k(2). The magnetic structure of the k(1)-domain is given by the basis vectors (C(x),0,0) and (C(x)',0,0) for Mn(4h) and Mn(4f), respectively. In the k(2)-domain, the magnetic structure is defined by the basis vectors (0,0,G(z)) and (F(x)',G(y)',0) for Mn(4h) and Mn(4f), respectively. At T = 1.5 K, for the magnetic phase associated with k(1), the magnetic moments of the Mn atoms at the 4h and 4f sites are 1.82(7) and 1.81(6) μ(B), respectively; for the magnetic phase associated with k(2), the magnetic moments for the Mn(4h) and Mn(4f) atoms are 0.59(5) and 2.62(5) μ(B), respectively.     

Rovibrational Intensities of the (00(0)3) <-- (10(0)0) Dyad Absorption Bands of (12)C(16)O(2)

Absolute line intensities of (12)C(16)O(2) are experimentally measured for the first time for the (00(0)3)(I) <-- (10(0)0)(II) band at 5687.17 cm(-1) and the (00(0)3)(I) <-- (10(0)0)(I) band at 5584.39 cm(-1). The spectra were obtained using a Bomem DA8 Fourier transform spectrometer and a 25-m base-path White cell at NASA-Ames Research Center. The rotationless bandstrengths at a temperature of 296 K and the Herman-Wallis parameters are S(0)(vib) = 6.68(30) x 10(-25) cm(-1)/(molecule/cm(2)); A(1) = 1.4(9) x 10(-4), and A(2) = -1.1(5) x 10(-5) for the (00(0)3)(I) <-- (10(0)0)(II) band and S(0)(vib) = 6.07(22) x 10(-25) cm(-1)/(molecule/cm(2)); A(1) = 5.2(1.5) x 10(-4) and A(2) = -4.0(7) x 10(-5) for the (00(0)3)(I) <-- (10(0)0)(I) band.     

High-Resolution Infrared and Millimeter-Wave Study of the Fermi-Coupled v(2) = 1 and v(3) = 2 States of DSiF(3)

The nu(2) (nu(eff.) 854.841 cm(-1)) and 2nu(3) infrared bands (nu(eff.) 840.083 cm(-1)) of DSiF(3) have been studied with a resolution of 2.5 x 10(-3) cm(-1). Moreover, millimeter-wave transitions in the v(2) = 1 and v(3) = 2 states up to J" = 33 have been measured. The assignments and fit of the poorly resolved, compressed cluster-type 2nu(3) IR transitions have been confirmed by a simultaneous study of the 2nu(3)-nu(3) band. The constant W = 5.116 cm(-1) of the Fermi interaction between the v(2) = 1 and v(3) = 2 levels has been determined from frequency effects which are in agreement with relative intensities of the nu(2) and 2nu(3) bands. The deperturbed (B(0) - B(v)) and (C(0) - C(v)) values of the states involved agree with their ab initio predictions within 7% in the worst case. Copyright 2001 Academic Press.     

Magnetic order in hybrid frustrated magnets Gd(2-x)Tb(x)Ti2O7 (x = 0.2 and 0.5)

We report on the specific heat, magnetization and ac susceptibility measurements of single crystals of hybrid frustrated magnets Gd(1.8)Tb(0.2)Ti(2)O(7) and Gd(1.5)Tb(0.5)Ti(2)O(7). The analysis of experimental data revealed that, although partial replacing of the Gd(3+) ions by the Tb(3+) ions in the Gd(2)Ti(2)O(7) host lattice slightly enhances antiferromagnetic coupling, as inferred from the evolution of the paramagnetic Curie-Weiss temperature, the ordering temperature gradually decreases. Paramagnetic correlations introduced by the Tb(3+) ions cause this perturbation, altering the effective further neighbor interactions and destabilizing the ground state in Gd(2)Ti(2)O(7). In addition, the low-energy states of Gd(2-x)Tb(x)Ti(2)O(7) are suggested to possess a nature different from those in parent members Tb(2)Ti(2)O(7) and Gd(2)Ti(2)O(7). Finally, the frequency-dependent magnetic susceptibility behavior in Gd(1.5)Tb(0.5)Ti(2)O(7) is consistent with the formation of a spin-glass-like state indicating a pronounced slowing down of the dynamical response of the studied hybrid magnets.