The thermal expansion of rubidium chloride by the shell model

The equation of state and the thermal expansion of rubidium chloride have been studied by making use of shell model with both the ions polarisable. The lattice constants at different temperatures have been obtained from the isotherms, drawn between the temperature range 0° and 1000°K; and show good agreement with the experimental results.     

Phototransposition reactions of methyl-substituted benzotrifluorides: proof of the role of trifluoromethyl-substituted carbon

Irradiation in acetonitrile of any one of the six isomers of dimethylbenzotrifluoride 8 resulted in efficient photoisomerization to the others. The dominant processes in these phototransposition reactions divides the isomers into two triads. The first consists of 8-2,6 (2,6-dimethylbenzotrifluoride), 8-2,3, and 8-3,4; the second consists of 8-3,5, 8-2,4, and 8-2,5. Moreover, irradiation of 2,6-dideuterio-4-methylbenzotrifluoride 5-d(2) resulted in formation of 5,6-dideuterio-3-methylbenzotrifluoride 6-d(2). These observations demonstrate that it is the trifluoromethyl-substituted carbon that is the migratory one in these reactions.     

The influence of solid‐state microstructure on the origin and yield of long‐lived photogenerated charge in neat semiconducting polymers

The influence of solid‐state microstructure on the optoelectronic properties of conjugated polymers is widely recognized, but still poorly understood. Here, we show how the microstructure of conjugated polymers controls the yield and decay dynamics of long‐lived photogenerated charge in neat films. Poly(3‐hexylthiophene) was used as a model system. By varying the molecular weight, we drive a transition in the polymer microstructure from nonentangled, chain‐extended, paraffinic‐like to entangled, semicrystalline (M_W = 5.5–347 kg/mol). The molecular weight range at which this transition occurs (M_W = 40–50 kg/mol) can be deduced from the drastic change in elongation at break found in tensile tests. Linear absorption measurements of free‐exciton bandwidth and time‐resolved microwave conductivity (TRMC) measurements of transient photoconductance track the concomitant evolution in optoelectronic properties of the polymer as a function of M_W. TRMC measurements show that the yield of free photogenerated charge increases with increasing molecular weight in the paraffinic regime and saturates at the transition into the entangled, semicrystalline regime. This transition in carrier yield correlates with a sharp transition in free‐exciton bandwidth and decay dynamics at a similar molecular weight. We propose that the transition in microstructure controls the yield and decay dynamics of long‐lived photogenerated charge. The evolution of a semicrystalline structure with well‐defined interfaces between amorphous and crystalline domains of the polymer is required for spatial separation of the electron and hole. This structural characteristic not only largely controls the yield of free charges, but also serves as a recombination center, where mobile holes encounter a bath of dark electrons resident in the amorphous phase and recombine with quasi first‐order kinetics. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011     

Lattice dynamics of calcium fluoride by an angular force model

The lattice dynamics of CaF₂ has been studied on the basis of a noncentral model using CGW type angular forces. The experimental data agree with the data obtained for the dispersion curves. The model has also been used to calculate lattice specific heat and Debye-Waller factors.     

Effect of γ-irradiation on the transport and structural properties of polycrystalline Bi1.2 Pb0.33 Sr1.54 Ca2.06 Cu3 O10+δ superconductor

The effect of γ-irradiation on the transport and structural properties of polycrystalline Bi_1.2 Pb_0.33 Sr_1.54 Ca_2.06 Cu₃ O_10+δ superconductor, synthesized by nitrate route is studied. The sample has been irradiated by γ-ray upto a dose 400 MR using a ⁶⁰Co isotope source of 2 kCi strength with a dose-rate of 6.26 Gy/min. Its X-ray diffraction pattern, resistivity–temperature behaviour as well as elemental and morphological analyses using scanning electron microscope have been examined before and after the irradiation. It is observed that the normal state resistivity increases as the dose is increased. The transition width of the sample is found to get broadened with the increasing dose. Using the theories of Aslamazov–Larkin and Maki–Thompson, we present an analysis of the excess conductivity of our sample and the effect of γ-irradiation on it. It is found that the coherence length of the sample gets increased with the increase of the irradiation dose.