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The nu-4 band of CH3Cl interacts strongly with the 3 nu-6 band. Levels of both bands are mixed and both appear strongly in absorption. The strengths of both bands have been measured taking into account the mixing of the levels. The absorption strengths of both bands can be related to a single parameter, namely, the strength of the unperturbed nu-4 band. This was calculated to be 41.8 per sq cm/atm at 297 K.
Self-absorbed synchrotron radiation produced by electrons with a power-law distribution of energies has a unique spectral shape: intensity is proportional to nu to the 5/2, where nu is the frequency, irrespective of the power law index of the electrons. It has been asserted that the measurement of a spectral index greater than 5/2 at frequencies below the 'far-IR turnovers' observed in the spectra of many radio-quiet AGN is incompatible with the physics of self-absorbed synchrotron sources. It is shown here that plausible electron energy distributions can lead to self-absorbed synchrotron spectra which are steeper than nu to the 5/2 over 1-1.5 orders of magnitude in frequency. This indicates that none of the existing observations are in fact incompatible with self-absorbed synchrotron radiation as the source.
The recent discovery of the minor isotopomer of ethane, (13)C(12)CH6, in the planetary atmospheres of Jupiter and Neptune, added ethane to the molecules which can be used to determine isotopic (12)C(12)C ratios for the jovian planets. The increased spectral resolution and coverage of the IR and far-IR instruments to be carried on the Cassini mission to Saturn and Titan may enable the detection of the minor isotopomer. Accurate frequency and cross-section measurements of the nu(sub 12) fundamental under controlled laboratory condition are important to interpret current and future planetary spectra. High resolution spectra of the minor isotopomer (13)C(12)CH6 have been recorded in the 12.2 micron region using the Kitt Peak Fourier Transform (FTS) and the Goddard Tunable Diode Laser spectrometer (TDL). In a global fit to 19 molecular constants in a symmetric top Hamiltonian, transition frequencies of the nu(sub 12) fundamental ranging up to J=35 and K=20 have been determined with a standard deviation of less than 0.0005 cm(exp -1). From selected line intensity measurements, a vibrational dipole moment for the nu(sub 12) fundamental has been derived. Observed and calculated spectra covering the region from 740 cm(exp -1) and to 910 cm(exp -1) are presented. A compilation of transition frequencies, line intensities, and lower state energies are included for general use in the astronomical community.
We report measured Lorentz O2-broadening and O2-induced pressure-shift coefficients of CH3D in the nu(exp 2) fundamental band. Using a multispectrum fitting technique we have analyzed 11 laboratory absorption spectra recorded at 0.011 cm(exp 1) resolution using the McMath-Pierce Fourier transform spectrometer, Kitt Peak, Arizona. Two absorption cells with path lengths of 10.2 and 25 cm were used to record the spectra. The total sample pressures ranged from 0.98 to 339.85 Torr with CH3D volume mixing ratios of 0.012 in oxygen. We report measurements for O2 pressure-broadening coefficients of 320 nu(exp 2) transitions with quantum numbers as high as J0(sup w) = 17 and K = 14, where K(sup w) = K' is equivalent to K (for a parallel band). The measured O2-broadening coefficients range from 0.0153 to 0.0645 cm(exp -1) atm(exp -1) at 296 K. All the measured pressure-shifts are negative. The reported O2-induced pressure-shift coefficients vary from about -0.0017 to -0.0068 cm(exp -1) atm(exp -1). We have examined the dependence of the measured broadening and shift parameters on the J(sup W), and K quantum numbers and also developed empirical expressions to describe the broadening coefficients in terms of m (m = -J(sup W), J(sup W), and J(sup w) + 1 in the QP-, QQ-, and QR-branch, respectively) and K. On average, the empirical expressions reproduce the measured broadening coefficients to within 4.4%. The O2-broadening and pressure shift coefficients were calculated on the basis of a semiclassical model of interacting linear molecules performed by considering in addition to the electrostatic contributions the atom-atom Lennard-Jones potential. The theoretical results of the broadening coefficients are generally larger than the experimental data. Using for the trajectory model an isotropic Lennard-Jones potential derived from molecular parameters instead of the spherical average of the atom-atom model, a better agreement is obtained with these data, especially for |m| <= 12 values (11.3% for the first calculation and 8.1% for the second calculation). The O2-pressure shifts whose vibrational contribution are either derived from parameters fitted in the QQ-branch of selfinduced shifts of CH3D or those obtained from pressure shifts induced by Xe in the nu(sup 3) band of CH3D are in reasonable agreement with the scattered experimental data (17.0% for the first calculation and 18.7% for the second calculation).
The NASA Unified-Weather Research and Forecasting model (NU-WRF) will be included for testing and evaluation in the forecast demonstration project (FDP) of the International Collaborative Experiment −PyeongChang 2018 Olympic and Paralympic (ICE-POP) Winter Games. An international array of radar and supporting ground based observations together with various forecast and now-cast models will be operational during ICE-POP. In conjunction with personnel from NASA's Goddard Space Flight Center, the NASA Short-term Prediction Research and Transition (SPoRT) Center is developing benchmark simulations for a real-time NU-WRF configuration to run during the FDP. ICE-POP observational datasets will be used to validate model simulations and investigate improved model physics and performance for prediction of snow events during the research phase (RDP) of the project The NU-WRF model simulations will also support NASA Global Precipitation Measurement (GPM) Mission ground-validation physical and direct validation activities in relation to verifying, testing and improving satellite-based snowfall retrieval algorithms over complex terrain.
The Scintillating Bubble Chamber (SBC) Collaboration is developing liquid-noble bubble chambers for the quasi-background-free detection of low-mass (GeV-scale) dark matter and coherent scattering (CE$\nu$NS) of low-energy (MeV-scale) neutrinos. The first physics-scale demonstrator of this technique, a 10-kg liquid argon bubble chamber dubbed SBC-LAr10, is now being commissioned at Fermilab. This device will calibrate the background discrimination power and sensitivity of superheated argon to nuclear recoils at energies down to 100 eV. A second functionally-identical detector with a focus on radiopure construction is being built for SBC's first dark matter search at SNOLAB. The projected spin-independent sensitivity of this search is approximately $10^{-43}$ cm$^2$ at 1 GeV$/c^2$ dark matter particle mass. The scalability and background discrimination power of the liquid-noble bubble chamber make this technique a compelling candidate for future dark matter searches to the solar neutrino fog at 1 GeV$/c^2$ particle mass (requiring a $\sim$ton-year exposure with non-neutrino backgrounds sub-dominant to the solar CE$\nu$NS signal) and for high-statistics CE$\nu$NS studies at nuclear reactors.
Utilizing 7 . 33 fb - 1 of e + e - collision data taken at the center-of-mass energies of 4.128, 4.157, 4.178, 4.189, 4.199, 4.209, 4.219, and 4.226 GeV with the BESIII detector, the branching fraction of the leptonic decay ${D}_s^{+}$ → τ + ν τ via τ + → μ + ν μ $\overline{\nu}$ τ is measured to be ${\mathcal{B}}_{D_s^{+}\to {\tau}^{+}{\nu}_{\tau }}$ = (5 . 37 ± 0 . 17 stat ± 0 . 15 syst )%. Combining this branching fraction with the world averages of the measurements of the masses of τ + and ${D}_s^{+}$ as well as the lifetime of ${D}_s^{+}$, we extract the product of the decay constant of ${D}_s^{+}$ and the c → s Cabibbo-Kobayashi-Maskawa matrix element to be ${f}_{D_s^{+}}$ |V cs | = (246 . 7 ± 3 . 9 stat ± 3 . 6 syst ) MeV. Taking |V cs | from a global fit in the standard model we obtain ${f}_{D_s^{+}}$ = (253 . 4 ± 4 . 0 stat ± 3 . 7 syst ) MeV. Conversely, taking ${f}_{D_s^{+}}$ from lattice quantum chromodynamics calculations, we obtain |V cs | = 0 . 987 ± 0 . 016 stat ± 0 . 014 syst .
Zirconium-based metal–organic frameworks (Zr-MOFs) have been increasingly studied over the past two decades as heterogeneous catalysts due to their synthetic tunability, well-defined nature, and chemical stability. In contrast to traditional zirconia-based heterogeneous catalysts, the community has assumed that Zr-MOFs are inert catalyst supports that do not participate directly in hydrocarbon transformations, such as olefin hydrogenation and isomerization. Here, we report that the Zr-MOF NU-1000 is capable of catalyzing olefin hydrogenation and isomerization, without any postsynthetic modifications, under a hydrogen atmosphere. We probe H 2 activation over the nodes of NU-1000 via spectroscopic and computational techniques revealing that H 2 dissociation can occur heterolytically across coordinatively unsaturated Zr sites and proximal hydroxide and μ3-oxo ligands. These results, along with catalytic experiments, suggest that H 2 activation results in node-supported zirconium hydrides capable of the hydrogenation and isomerization of 1-butene. When examining rate dependence on the partial pressure of H 2 , we observe first-order dependence for hydrogenation and half-order dependence for isomerization. Half-order H 2 rate dependence is consistent with a mechanism where both fragments of cleaved H 2 are active for 1-butene isomerization, suggesting that heterolytic cleavage generates acidic protons resulting in parallel, acid-, and hydride-catalyzed isomerization pathways. In conclusion, this work shows that Zr-MOFs have more diverse reactivity than the current literature may suggest and opens possibilities for ways in which Zr-MOFs can be used as heterogeneous catalysts and supports.
Abstract Metal-organic frameworks (MOFs) are a class of materials with diverse chemical and structural properties, and have been shown to effectively adsorb various types of guest molecules. The mechanism of water adsorption in NU-1500-Cr, a high-performance atmospheric water harvesting MOF, is investigated using a combination of molecular dynamics simulations and infrared spectroscopy. Calculations of thermodynamic and dynamical properties of water as a function of relative humidity allow for following the adsorption process from the initial hydration stage to complete filling of the MOF pores. Initial hydration begins at the water molecules that saturate the open Cr 3+ sites of the framework, which is then followed by the formation of water chains that extend along the channels connecting the hexagonal pores of the framework. Water present in these channels gradually coalesces and fills the hexagonal pores sequentially after the channels are completely hydrated. The development of hydrogen-bond networks inside the MOF pores as a function of relative humidity is characterized at the molecular level using experimental and computational infrared spectroscopy. A detailed analysis of the OH-stretch vibrational band indicates that the low-frequency tail stems from strongly polarized hydrogen-bonded water molecules, suggesting the presence of some structural disorder in the experimental samples. Strategies for designing efficient water harvesting MOFs are also proposed based on the mechanism of water adsorption in NU-1500-Cr.
The well-known MOF (metal–organic framework) linker tetrakis(p-benzoate)pyrene (TBAPy 4– ) lacks steric hindrance between its benzoates. Changing the 1,3,6,8-siting of benzoates in TBAPy 4– to 4,5,9,10-siting introduces substantial steric hindrance and, in turn, enables the synthesis of a new hierarchically porous, she-type MOF Zr 6 (μ 3 -O)4(μ 3 -OH) 4 (C 6 H 5 COO) 3 (COO) 3 (TBAPy-2) 3/2 (NU-601), where TBAPy-2 4– is the 4,5,9,10 isomer of TBAPy 4– . In conclusion, NU-601 shows high catalytic activity for degradative hydrolysis of a simulant for G-type fluoro-phosphorus nerve agents.
We report on the first measurement of flux-integrated single differential cross sections for charged-current (CC) muon neutrino ($\nu_{\mu}$) scattering on argon with a muon and a proton in the final state, 40 Ar $(\nu_{\mu},μp)X$. The measurement was carried out using the Booster Neutrino Beam at Fermi National Accelerator Laboratory and the MicroBooNE liquid argon time projection chamber detector with an exposure of 4.59 × 10 19 protons on target. Events are selected to enhance the contribution of CC quasielastic (CCQE) interactions. The data are reported in terms of a total cross section as well as single differential cross sections in final state muon and proton kinematics. We measure the integrated per-nucleus CCQE-like cross section (i.e., for interactions leading to a muon, one proton, and no pions above detection threshold) of (4.93 ± 0.76 stat ± 1.29 sys )×10 -38 cm 2 , in good agreement with theoretical calculations. The single differential cross sections are also in overall good agreement with theoretical predictions, except at very forward muon scattering angles that correspond to low-momentum-transfer events.
CUPID is a next-generation bolometric experiment to search for neutrinoless double-beta decay ($0\nu \beta \beta$ ) of 100 Mo using Li 2 MoO 4 scintillating crystals. It will operate 1596 crystals at ~10 mK in the CUORE cryostat at the Laboratori Nazionali del Gran Sasso in Italy. Each crystal will be facing two Ge-based bolometric light detectors for α rejection. We compute the discovery and the exclusion sensitivity of CUPID to $0\nu \beta \beta$ in a Frequentist and a Bayesian framework. This computation is done numerically based on pseudo-experiments. For the CUPID baseline scenario, with a background and an energy resolution of 1.0 x 10 –4 counts/keV/kg/yr and 5 keV FWHM at the Q-value, respectively, this results in a Bayesian exclusion sensitivity (90% c.i.) of $\hat{T}_{1/2} > 1.6 \times 10^{27} \ \textrm{yr}$, corresponding to the effective Majorana neutrino mass of $\hat{m}_{\beta \beta } < \ 9.6$ – 28 meV. The Frequentist discovery sensitivity (3σ ) is $\hat{T}_{1/2}= 1.0 \times 10^{27} \ \textrm{yr}$, corresponding to $\hat{m}_{\beta \beta }= \ 12$ – 36 meV.
The DOE Nuclear Criticality Safety Program has funded a multi-year effort to measure the 240 Pu(n,f) Prompt Fission Neutron Spectrum at Chi-Nu. This project is a joint LANL-LLNL effort, involving the preparation of 12 240 Pu foils and construction of a Parallel-Plate Avalanche Counter at LLNL, with subsequent measurements of the 240 Pu(n,f) PFNS at the Chi-Nu beamline at the Los Alamos Neutron Science Center’s Weapons Neutron Research facility (LANSCE/WNR). We expect the PPAC to be ready in time to perform the measurements this run cycle.
We perform a single differential $\nu_\mu$ charged current (CC) inclusive cross section measurement in MicroBooNE using improved detector response simulation, reconstruction, and with improved cosmic ray-induced background rejection using an external Cosmic Ray Tagger (CRT). The measurement uses data recorded from Fermilab’s Booster Neutrino Beamline (BNB) between December 2017 and July 2018, corresponding to an integrated protons on target of 7.6e18). We present the results in a similar manner as our previous $\nu_\mu$ charged current (CC) inclusive cross section to allow for direct comparison. The direct comparison highlights two improvements in this measurement over the previous measurement: firstly, the drastically reduced cosmic contamination achieved when using the CRT, and secondly the significantly improved detector modeling, with associated reduced systematic uncertainties. It is shown in this analysis that the outcome is an improved measurement (σ = 0.800 ± 0.030 (stat) ± 0.101 (sys) · 10 -38 cm 2 ) with much smaller uncertainties but a result consistent with that of the previous analysis (σ previous = 0.693 ± 0.010 ± 0.165 · 10 -38 cm 2 ).
The nu sub 2 fundamental band of CHD3, centered near 2143/cm, was recorded at a resolution of 0.015-0.25/cm. Analysis of ground state combination differences yielded well-determined values for the ground state molecular parameters for CHD3. These parameters were used in the determination of the alpha and beta molecular parameters for nu sub 2.
Anomalous intensity ratios between 2 nu 3 singlet lines of C-13 methane and C-12 methane are reported. Absolute strengths of the Q1, R0 and R1 singlets were measured for essentially pure samples of (C-13)H4 and (C-12)H4 at a resolution of 0.035 kaysers at pressures of 10 and 20 Torr, using a computer controlled grating spectrometer. Line strength ratios between the isotopic species are presented which demonstrate a dramatic effect of isotopic substitution on line strengths. If this effect can be observed in the 3 nu 3 vibration-rotation band of methane, which is widely used in planetary atmosphere studies, revision of the (C-12)H4/(C-13)H4 abundance ratios of the outer planets will be necessary.
Surface-enhanced Raman spectroscopy has been used to study the molecular interactions of malononitrile with copper electrode surfaces. The doubly degenerate CN stretching frequency at 2263/cm is removed when malononitrile adsorbs on copper. Two nu(CN) bands are observed at 2096 and 2204/cm at -0.6 V(SCE). The result shows that only one CN group is pi-coordinated with Cu, which contributes to the observed large shift (-167/cm) in nu(CN). The other CN group is not coordinated to the metal surface.
Air-broadened halfwidths and pressure-induced line shifts in the nu(4) fundamental of C-13H4 were determined from spectra recorded at room temperature and at 0.01/cm resolution using a Fourier transform spectrometer. Halfwidths and pressure shifts were determined for over 180 transitions belonging to J-double prime values of less than or = to 16. Comparisons of air-broadened halfwidths and pressure-induced line shifts made for identical transitions in the nu(4) bands of C-12H4 and C-13H4 have shown that C-13H4 air-broadened halfwidths are about 5 percent smaller than the corresponding C-12H4 halfwidths, and the pressure shifts for C-13H4 lines are about 5-15 percent larger than those for C-12H4.