High-resolution infrared and theoretical study of gaseous 1,2,5-selenadiazole in the 600-1400 cm range

The Fourier transform gas-phase IR spectrum of natural isotopic 1,2,5-selenadiazole, C₂H₂N₂Se, has been recorded with a resolution of ca. 0.0025 cm⁻¹ in the wavenumber region 600-1400 cm⁻¹. The three a-type bands, ν₂ (A₁), ν₄ (A₁), ν₅ (A₁), the two b-type bands ν₁₁ (B₁), ν₁₂ (B₁), and the c-type band ν₁₄ (B₂) for each of the isotopologues C₂H₂N₂⁸⁰Se and C₂H₂N₂⁷⁸Se have been analyzed using the Watson model. Ground state rotational and quartic centrifugal distortion constants as well as upper state spectroscopic constants have been obtained from the fits. The rotational constants, harmonic and anharmonic frequencies, and vibration-rotation constants (alphas, ) have been predicted by quantum chemical calculations using a cc-pVTZ basis at the MP2 and B3LYP methodology levels, and compared with the present experimental data. Although the rotation constants are marginally closer to experiment from the MP2 calculations, in general the B3LYP frequencies and alphas are closer to experiment.     

Dynamics of polydisperse hard-spheres under strong confinement

We use molecular simulation to probe the connection between local structure and the unusual re-entrant dynamics observed for polydisperse hard-sphere liquids confined in thin slit pores. The local structure is characterised by calculating 2-D bond-orientational order parameters associated with square and hexatic order for particles in the layer adjacent to the confining walls. When the wall separation is commensurate with the average particle size, the particles primarily exhibit local hexatic order, whereas local square order increases in prevalence for incommensurate geometries. The relaxation time extracted from the ensemble-averaged mean-square displacement increases exponentially with the static correlation length associated with hexatic local order in strongly confined commensurate geometries, in agreement with theoretical predictions for dynamical slowing. Square order, by contrast, is not associated with a growing length scale for either commensurate or incommensurate geometries, indicating that it is strongly geometrically frustrated. Our results suggest that the influence of bond-orientational order on dynamical slowing may be altered by changing the extent of confinement.     

Magnetic phase diagram for HO-50%tb from anomalies in ultrasonic propagation

Measurements of the elastic constant c₃₃ for Tb-50% Ho, as a function of temperature and magnetic field, have been used to determine the magnetic phase diagram of the alloy. Evidence for the four phases:paramagnetic, spiral spin antiferromagnetic, fan and ferromagnetic are presented. The true ferromagnetic phase is only found below 100 K even in fields of up to 7 Tesla.     

Passively mode-locked Yb:KLu(WO4)2 thin-disk oscillator operated in the positive and negative dispersion regime

We demonstrate a passively mode-locked femtosecond Yb:KLu(WO(4))(2) thin-disk laser oscillator. Chirped-pulse operation in the positive dispersion regime as well as solitary operation have been realized, and the laser performance of both configurations are compared. In the solitary mode-locking regime the output power exceeds 25 W in a diffraction-limited beam, and pulse durations as short as 440 fs at a 34.7 MHz repetition rate have been generated. For the first time we present a chirped-pulse operation of a thin-disk oscillator that yields a maximum average output power of 9.5 W with a Fourier limit of 450 fs.