Electron energy loss spectroscopic study of Cr(CO)6, Mo(CO)6 and W(CO)6 in the vapour phase

Electron energy loss spectra (EELS) of Cr, Mo and W hexacarbonyls in the vapour phase are reported. Most of the bands observed are similar to those in optical spectra, but the two high energy transitions in the 9·8–11·2 eV region are reported here for the first time. Based on the orbital energies from the ultraviolet photoelectron spectra and the electronic transition energies from EELS and earlier optical studies, the molecular energy level schemes of these molecules are constructed.

Two forms of Pf1 Inovirus: X-ray diffraction studies on a structural phase transition and a calculated libration normal mode of the asymmetric unit

Inovirus is a helical array of alpha-helical protein asymmetric units surrounding a DNA core. X-ray fibre diffraction studies show that the Pf1 species of Inovirus can undergo a reversible temperature-induced transition between two similar structural forms having slightly different virion helix parameters. Molecular models of the two forms show no evidence for altered interactions between the protein and either the solvent or the viral DNA; but there are significant differences in the shape and orientation of the protein asymmetric unit, related to the changes in the virion parameters. Normal modes involving libration of whole asymmetric units are in a frequency range with appreciable entropy of libration, and the structural transition may be related to changes in libration.

An infrared spectroscopic study of the orientational phase transitions of C70

Infrared spectroscopic studies of C70 films show variation in absorbance and linewidth of the bands across the orientational phase transitions around 280 and 340 K. There is some evidence for the coexistence of phases in the 210–270 K region and for the occurrence of another transition below 200 K.

Characterization of biaxial crystals for tangentially phase-matched frequency conversion

Ultraviolet radiation has been generated by tangentially phase-matched sum-frequency mixing in biaxial L-arginine phosphate (LAP) crystal for the first time using Nd:YAG output at 1064 nm and Rh 6G dye laser output at 560 nm as the two input sources. Characterization has also been made of such a cheap, biaxial crystal for its possible use in devices for tangentially phase-matched short wavelength generation. If the crystal is of proper cut, thickness and quality so that its maximum capability can be exploited it can replace the potassium dihydrogen phosphate (KDP) group of crystals for various applications.

1H NMR Study of Molecular Motions and Phase Transitions in Methyl Ammonium Hexabromo Selenate [(CH3NH3)2SeBr6]

The temperature dependence of 1H spin-lattice relaxation time, T1, and that of the second moment, M2, are analysed in the temperature range 390 K to 77 K. A plot of T1 vs inverse temperature shows three phase transitions at 250 K, 167 K and 111 K. At 167 K, T1 displays a large jump while it shows changes in slope at 250 K and 111 K. In the high temperature phase (> 167 K), the correlated motion of CH3 and NH3 groups is found to cause the relaxation while their uncorrelated motion takes over in the low temperature phases (< 167 K). The unusual T1 behaviour in phase II (250 K-167 K) is ascribed to the small angle torsion of the cation. A constant M2 value of ∼ 9.7 G2, throughout the range of temperature studied, indicates the presence of reorientation of CH3 and NH3 groups.

Hydrodynamics of the Renn-Lubensky twist grain boundary phase, and the decoupled lamellar phase

The long-wavelength hydrodynamics of the Renn-Lubensky twist grain boundary phase with grain boundary angle 2pialpha, alpha irrational, is studied. We find three propagating sound modes, with two of the three sound speeds vanishing for propagation orthogonal to the grains, and one vanishing for propagation parallel to the grains as well. In addition, we find that the viscosities eta1, eta2, eta4, and eta5 diverge like 1/Absolute value of omega as frequency omega --> 0, with the divergent parts DELTAeta(i) satisfying DELTAeta1DELTAeta4=(DELTAeta5)2, exactly. Our results should also apply to the predicted decoupled lamellar phase.

Influence of Raman scattering on the cross phase modulation in optical fibers

The effect of Raman scattering on co-propagation of two short optical pulses is considered. The intra pulse Raman scattering causes the self-frequency shift of each pulse. The effect of the inter pulse Raman scattering is to enhance the frequency shift while the stimulated Raman scattering (SRS) term suppresses (enhances) the frequency shift if the center frequency difference between the optical pulses falls to the right (left) of the Raman gain peak. An expression for the frequency shift as a function of the propagation distance is obtained.

Low-temperature preparation and characterization of phase-pure lanthanide chromates (V) by the citrate gel process

Phase-pure, crystalline lanthanide chromates LnCrO4 (V), where Ln = La, Pr, Nd, Sm, Gd, Dy, Ho, Yb, Lu and Y, have been prepared by the controlled combustion of the corresponding lanthanide biscitrato chromium (III) complexes at comparatively low temperatures. Formation of chromates (V) was confirmed by X-ray diffraction, infrared and electronic spectroscopy. Phase purity of the materials has also been confirmed by X-ray photoelectron spectroscopy.

Two forms of PF1 INOVIRUS: X-ray diffraction studies on a structural phase transition and a calculated libration normal mode of the assymetric unit

Inovirus is a helical array of agr-helical protein asymmetric units surrounding a DNA core. X-ray fibre diffraction studies show that the Pf1 species of Inovirus can undergo a reversible temperature-induced transition between two similar structural forms having slightly different virion helix parameters. Molecular models of the two forms show no evidence for altered interactions between the protein and either the solvent or the viral DNA; but there are significant differences in the shape and orientation of the protein asymmetric unit, related to the changes in the virion parameters. Normal modes involving libration of whole asymmetric units are in a frequency range with appreciable entropy of libration, and the structural transition may be related to changes in libration.

Orientational phase transitions in C70: A Raman spectroscopic investigation

Raman investigations of C70 films in the 14-370-K range show significant changes across the orientational phase transitions around 270 and 330 K. Seven of the Raman modes of C70 soften smoothly across the transitions, the magnitude of the decrease in frequencies being in the range of 2-5 cm-1. Linewidths of the bands increase in the transition region over and above the anharmonic contributions.

Phase diagram of the two-dimensional disordered Hubbard model in the Hartree-Fock approximation

Ground-state properties of the two-dimensional Hubbard model with point-defect disorder are investigated numerically in the Hartree-Fock approximation. The phase diagram in the p(point defect concentration)-delta(deviation from half filling) plane exhibits antiferromagnetic, spin-density-wave, paramagnetic, and spin-glass-like phases. The disorder stabilizes the antiferromagnetic phase relative to the spin-density-wave phase. The presence of U strongly enhances the localization in the antiferromagnetic phase. The spin-density-wave and spin-glass-like phases are weakly localized.

Phase nonequilibrium effects on the gain of a two-phase flow gasdynamic laser

Analysis of gas-particle nozzle flow is carried out with attention to the effect of dust particles on the vibrational relaxation phenomena and consequent effects on the gain of a gasdynamic laser. The phase nonequilibrium between the gas mixture and the particles during the nozzle expansion process is taken into account simultaneously. The governing equations of the two-phase nozzle flow have been transformed into similar form, and general correlating parameters have been obtained. It is shown from the present analysis that the particles present in the mixture affect the optimum gain obtainable from a gasdynamic laser adversely, and the effect depends on the size and loading of the particles in the mixture.

Phase relations and thermodynamic properties of condensed phases in the system calcium-copper-oxygen

The isothermal sections of the phase diagram for the system Ca-Cu-0 at 1073 and 1223 K have been determined. Several compositions in the ternary system were quenched after equilibration, and the phases present were identified by optical microscopy, X-ray diffraction, and electron probe microanalysis. Two ternary compounds Ca2CuO3 and Cao.8&uO1.9s were identified at 1073 K. However, only Ca2CuO3 was found to be stable at 1223 K. The thermodynamic properties of the two ternary compounds were determined using solid-state cells incorporating either an oxide or a fluoride solid electrolyte. The results for both types of cells were internally consistent. The compound C ~ O . ~ & U Ow~h.i~ch~ c, a n also be represented as Ca15Cu18035h, as been identified in an earlier investigation as Cao.828CuOz. Using a novel variation of the galvanic cell technique, in which the emf of a cell incorporating a fluoride electrolyte is measured as a function of the oxygen potential of the gas phase in equilibrium with the condensed phase electrodes, it has been confirmed that the compound Cao.828CuO1.93 (Ca15Cu18035d) oes not have significant oxygen nonstoichiometry. Phase relations have been deduced from the thermodynamic data as a function of the partial pressure of oxygen for the system Ca-Cu-0 at 873, 1073, and 1223 K.

Phase Relations in the System Cu-Gd-O and Gibbs Energy of Formation of CuGd204

The phase relations in the system Cu-Gd-O have been determined at 1273 K by X-ray diffrac- tion, optical microscopy, and electron microprobe analysis of samples equilibrated in quartz ampules and in pure oxygen. Only one ternary compound, CuGd2O4, was found to be stable. The Gibbs free energy of formation of this compound has been measured using the solid-state cell Pt, Cu2O + CuGd2O4 + Gd2O3 // (Y2O3) ZrO2 // CuO + Cu2O, Pt in the temperature range of 900 to 1350 K. For the formation of CuGd2O4 from its binary component oxides, CuO (s) + Gd2O3 (s) → CuGd2O4 (s) ΔG° = 8230 - 11.2T (±50) J mol-1 Since the formation is endothermic, CuGd2O4 becomes thermodynamically unstable with respect to CuO and Gd2O3 below 735 K. When the oxygen partial pressure over CuGd2O4 is lowered, it decomposes according to the reaction 4CuGd2O4 (s) → 4Gd2O3 (s) + 2Cu2O (s) + O2 (g) for which the equilibrium oxygen potential is given by Δμo 2 = −227,970 + 143.2T (±500) J mol−1 An oxygen potential diagram for the system Cu-Gd-O at 1273 K is presented.