Absolute differential cross sections for electron-impact excitation of CO near threshold: II. The Rydberg states of CO

Absolute differential cross sections for electron-impact excitation of Rydberg states of CO have been measured from threshold to 3.7 eV above threshold and for scattering angles between 20° and 140°. Measured excitation functions for the b 3Σ+, B 1Σ+ and E 1π states are compared with cross sections calculated by the Schwinger multichannel method. The behaviour of the excitation functions for these states and for the j 3Σ+ and C 1Σ+ states is analysed in terms of negative-ion states. One of these resonances has not been previously reported

Reliable quantification of 1,2-dihydroxynaphthalene in urine using a conjugated reference compound for calibration.

After environmental and occupational exposure to naphthalene, 1,2-dihydroxynaphthalene (1,2-DHN) was shown to be one major metabolite in human naphthalene metabolism. However, the instability of free 1,2-DHN complicates the reliable determination of this promising biomarker in urine. To solve this stability problem, glucuronide conjugates of 1,2-DHN and the corresponding isotopically labelled D-6-1,2-dihydroxynaphthalene (D-6-1,2-DHN) were synthesised and applied as reference material and internal standard in a gas chromatographic-tandem mass spectrometric (GC-MS/MS) method. The determination of 1- and 2-naphthol (1-MHN, 2-MHN) was included in the procedure to enable a comprehensive assessment of naphthalene metabolism and exposure. The results of the validation showed a high reliability and sensitivity of the method. The detection limits range from 0.05 to 0.16 mu g/L. Precision and repeatability were determined to range from 1.4 to 6.6% for all parameters. The simultaneous determination of 1- and 2-MHN as additional parameters besides 1,2-DHN enables the application of the method for further metabolism and kinetic studies on naphthalene. The use of glucuronide-derivative reference substances and the application of structurally matched isotopic-labelled internal standards for each substance guarantee a reliable quantification of the main naphthalene metabolites 1,2-DHN and 1- and 2-MHN

Anomalous expansion and phonon damping due to the Co spin-state transition in RCoO_3 with R = La, Pr, Nd and Eu

We present a combined study of the thermal expansion and the thermal conductivity of the perovskite series RCoO_3 with R = La, Nd, Pr and Eu. The well-known spin-state transition in LaCoO_3 is strongly affected by the exchange of the R ions due to their different ionic radii, i.e. chemical pressure. This can be monitored in detail by measurements of the thermal expansion, which is a highly sensitive probe for detecting spin-state transitions. The Co ions in the higher spin state act as additional scattering centers for phonons, therefore suppressing the phonon thermal conductivity. Based on the analysis of the interplay between spin-state transition and heat transport, we present a quantitative model of the thermal conductivity for the entire series. In PrCoO_3, an additional scattering effect is active at low temperatures. This effect arises from the crystal field splitting of the 4f multiplet, which allows for resonant scattering of phonons between the various 4f levels.Comment: 15 pages including 5 figure

Thermal Conductivity, Thermopower, and Figure of Merit of La_{1-x}Sr_xCoO_3

We present a study of the thermal conductivity k and the thermopower S of single crystals of La_{1-x}Sr_xCoO_3 with 0<= x <= 0.3. For all Sr concentrations La_{1-x}Sr_xCoO_3 has rather low k values, whereas S strongly changes as a function of x. We discuss the influence of the temperature- and the doping-induced spin-state transitions of the Co ions on both, S and k. From S, k, and the electrical resistivity rho we derive the thermoelectric figure of merit Z=S^2/(k*rho). For intermediate Sr concentrations we find notably large values of Z indicating that Co-based materials could be promising candidates for thermoelectric cooling.Comment: 7 pages, 5 figures included, submitted to Phys. Rev.

Evidence for orbital ordering in LaCoO3

We present powder and single crystal X-ray diffraction data as evidence for a monoclinic distortion in the low spin (S=0) and intermediate spin state (S=1) of LaCoO3. The alternation of short and long bonds in the ab plane indicates the presence of eg orbital ordering induced by a cooperative Jahn-Teller distortion. We observe an increase of the Jahn-Teller distortion with temperature in agreement with a thermally activated behavior of the Co3+ ions from a low-spin ground state to an intermediate-spin excited state.Comment: Accepted to Phys. Rev.

Bound -> free and bound -> bound multichannel emission spectra from selectively excited Rydberg states in the ZnAr and CdAr van der Waals complexes

Multichannel dispersed emission spectra recorded upon a selective excitation of Rydberg electronic energy states in the ZnAr and CdAr van der Waals (vdW) complexes are analysed as a proof-of-concept of the future experimental approach. Simulations of the emission spectra are based on ab-initio calculated interatomic potentials and transition dipole moments (TDMs). Experimental set-up that is under construction along with the experimental procedure are discussed

Looking at Vector Space and Language Models for IR using Density Matrices

In this work, we conduct a joint analysis of both Vector Space and Language Models for IR using the mathematical framework of Quantum Theory. We shed light on how both models allocate the space of density matrices. A density matrix is shown to be a general representational tool capable of leveraging capabilities of both VSM and LM representations thus paving the way for a new generation of retrieval models. We analyze the possible implications suggested by our findings.Comment: In Proceedings of Quantum Interaction 201