I. Site effects and exciton structure in molecular crystals - Benzene. II. The first and second triplet states of solid benzene

The effect of intermolecular coupling in molecular energy levels (electronic and vibrational) has been investigated in neat and isotopic mixed crystals of benzene. In the isotopic mixed crystals of C₆H₆, C₆H₅D, m-C₆H₄D₂, p-C₆H₄D₂, sym-C₆H₃D₃, C₆D₅H, and C₆D₆ in either a C₆H₆ or C₆D₆ host, the following phenomena have been observed and interpreted in terms of a refined Frenkel exciton theory: a) Site shifts; b) site group splittings of the degenerate ground state vibrations of C₆H₆, C₆D₆, and sym-C₆H₃D₃; c) the orientational effect for the isotopes without a trigonal axis in both the ¹B_2u electronic state and the ground state vibrations; d) intrasite Fermi resonance between molecular fundamentals due to the reduced symmetry of the crystal site; and e) intermolecular or intersite Fermi resonance between nearly degenerate states of the host and guest molecules. In the neat crystal experiments on the ground state vibrations it was possible to observe many of these phenomena in conjunction with and in addition to the exciton structure.

To theoretically interpret these diverse experimental data, the concepts of interchange symmetry, the ideal mixed crystal, and site wave functions have been developed and are presented in detail. In the interpretation of the exciton data the relative signs of the intermolecular coupling constants have been emphasized, and in the limit of the ideal mixed crystal a technique is discussed for locating the exciton band center or unobserved exciton components. A differentiation between static and dynamic interactions is made in the Frenkel limit which enables the concepts of site effects and exciton coupling to be sharpened. It is thus possible to treat the crystal induced effects in such a fashion as to make their similarities and differences quite apparent.

A calculation of the ground state vibrational phenomena (site shifts and splittings, orientational effects, and exciton structure) and of the crystal lattice modes has been carried out for these systems. This calculation serves as a test of the approximations of first order Frenkel theory and the atom-atom, pair wise interaction model for the intermolecular potentials. The general form of the potential employed was V(r) = Be^-Cr - A/r⁶ ; the force constants were obtained from the potential by assuming the atoms were undergoing simple harmonic motion.

In part II the location and identification of the benzene first and second triplet states (³B_1u and ³E_1u) is given.

From social to political. New forms of mobilization and democratization. Conference proceedings

In the recent evolution of contemporary social movements three phases can be identified. The first phase is marked by the labour movement and the systemic importance attributed to the labour conflict in industrial societies. This conflict has been interpreted as a consequence of the shortcoming of social integration mechanisms by Emile Durkheim, as a rational conflict by entrepreneurs’ and workers’ interests by Max Wener, and as a central class struggle for the transformation of society by Karl Marx. The second phase in this development was led by the new social movements of the post-industrial society of the 1960s and 1970s’ students, women and environmentalist movements. Two new analytical perspectives have explained these movements’ meaning and actions. Resource mobilization theory (McAdam and Tilly) has focuses on rational attitudes and conflicts. Actionalist sociology, in turn, has identified the new protagonists of social conflicts that replaced the labour movement in postindustrial societies. The third phase emerges in a world characterized by the ascendance of markets, the increasingly prominent role of financial capital flows, the closure of communities, and fundamentalism. In this context, human rights and pro-democratization movements constitute alternatives to global domination and the systemic conditioning of individual and groups.

Estudo termodinâmico da precipitação de parafinas em petróleos brasileiros

Um dos grandes desafios enfrentados pela indústria do petróleo é reduzir o impacto causado pela cristalização indesejável de hidrocarbonetos parafínicos de elevada massa molar em tubulações e equipamentos de produção. A cristalização de parafinas em petróleo é normalmente detectada através da determinação da temperatura inicial de aparecimento de cristais (TIAC), que pode ser estimada através de modelagem termodinâmica com base na composição do petróleo. Os objetivos deste trabalho são: estudar os principais modelos termodinâmicos adotados para descrever a precipitação de parafinas; verificar a validade desses modelos para os petróleos brasileiros e determinar qual modelo é o mais adequado para esses óleos. Para tanto, três formas de cálculo da razão entre as fugacidades das fases sólida e líquida e cinco modelos para calcular os coeficientes de atividade dos componentes em cada fase são aplicados aos dados de composição de vinte e três petróleos brasileiros. Os resultados mostram que o modelo ideal de múltiplas fases sólidas e o modelo de Escobar-Remolina geram valores bastante abaixo da TIAC experimental. Para os modelos de única fase sólida ideal, de Won e de Coutinho, foi possível observar que: a) a grande maioria dos erros é negativa; b) que estes se distribuem melhor em torno de zero quando se utiliza a correlação de Coutinho para o cálculo dos valores de i; c) os valores de erro médio para os modelos de Coutinho, de Won e ideal com única fase sólida se equivalem, qualquer que seja o modelo utilizado para o cálculo de i, exceto para o caso em que todos os compostos presentes na fase líquida podem precipitar; d) os valores obtidos através do modelo de Coutinho apresentam erro sistemático em relação ao modelo ideal de única fase sólida; e) as diferentes formas de se calcular a razão entre as fugacidades da fase sólida e líquida (i) influenciam fortemente a capacidade preditiva dos modelos, o que não era esperado; f) o perfil do primeiro cristal formado nos petróleos é influenciado pelas moléculas mais pesadas presentes nos resíduos, o que mostra a necessidade de se desenvolver metodologias precisas e robustas de caracterização de resíduos; g) a inclusão de uma estimativa para a composição dos resíduos efetivamente melhorou o desempenho dos modelos em petróleos médio; h) em petróleos pesados, houve um aumento do erro de previsão da TIAC devido à pouca ou nenhuma quantidade de parafinas nos resíduos desses óleos. A necessidade de uma melhor caracterização dos resíduos de petróleos é corroborada pelo fato da TIAC calculada pelos modelos ser, via de regra, mais baixa que a TIAC experimental e pela melhora no desempenho dos modelos quando se estimou a composição dos resíduos, em petróleos médios

α-异噁唑偶氮基-β-二酮类衍生物及其互变异构体的光谱

研究了5种新型的具有不同结构的aα-异噁唑偶氮基-β-二酮类衍生物的红外光谱和紫外光谱，讨论了它们的酮式-烯醇式以及偶氮式．腙式之间的互变异构化现象。结果表明，所有化合物无论以固体形式或在溶液中均以腙式二酮体和偶氮式烯醇体的混合形式存在。各化合物的紫外吸收谱均呈双峰状，峰值分别处于246～262nm和326～339nm之间，其中，高波长吸收峰的强度明显高于低波长吸收峰强度，说明了各化合物中偶氮式烯醇体形式均多于腙式二酮体形式，其原因是由于各化合物中偶氮式烯醇体的异构体较多，且易以分子内氢键形式形成六元环，

All solid-state, injection-seeded Ti:sapphire ring laser

In this letter, we present an all solid-state, injection-seeded Ti:sapphire laser. The laser is pumped by a laser diode pumped frequency-doubled Nd:YAG laser, and injection-seeded by an external cavity laser diode with the wavelength between 770 and 780 nm. The single longitude mode and the doubling efficiency of the laser are obtained after injection seeding. The experimental setup and relative results are reported. It is a good candidate laser source for mobile differential absorption lidar (DIAL) system.

A Q-swicthed all-solid-state single-longitudinal-mode laser with adjustable pulse-width and high repetition rate

A single-longitudinal-mode (SLM) laser-diode pumped Nd: YAG laser with adjustable pulse width is developed by using the techniques of pre-lasing and changing polarization of birefingent crystal. The Q-switching voltage is triggered by the peak of the pre-lasing pulse to achieve the higher stability of output pulse energy. The output energy of more than 1 mJ is obtained with output energy stability of 3% (rms) at 100 Hz. The pulse-width can be adjusted from 30 ns to 300 ns by changing the Q-switching voltage. The probability of putting out single-longitudinal-mode pulses is almost 100%. The laser can be run over four hours continually without mode hopping.

Dynamic analysis of V-folded cavity for TEM00 operation of end-pumped solid-state laser

Based on graphic analysis design method of optical resonator, a simple design expression of V-folded cavity of end-pumped solid-state lasers with TEM00 operation is described, which satisfies two criterias of the resonator design. We give numerical simulation of spot size as a function of thermal focal length using this design approach whose advantages are validated experimentally.

A kilowatt diode-pumped solid-state heat-capacity double-slab laser

A kilowatt diode-pumped solid state heat capacity laser is fabricated with a double-slab Nd:YAG. Using the theoretical model of heat capacity laser output laser characteristics, the relationships between the output power, temperature and time are obtained. The slab is 59 x 40 4.5mm(3) in size. The average pump power is 11.2kW, the repetition rate is 1kHz, and the duty cycle 20%. During the running time of 1s, the output energy of the laser has a fluctuation with the maximal output energy at 2.06J, and the maximal output average power is 2.06kW. At the end of the second, the output energy declines to about 50% compared to the beginning. The thermal effects can be improved with one slab cooled by water. The experimental results are consistent with calculation data.

Depolarization loss compensated resonator for electro-optic Q-switched solid-state laser

A novel laser resonator for compensating depolarization loss that is due to thermally induced birefringence in active rod is reported. As this new structure being applied to an electro-optic Q-switched LIDA side-pumped Nd:YAG laser operating at a repetition rate of 1000 Hz, substantial reduction in depolarization loss has been observed, the output pulse energy is improved about 56% from that of a traditional resonator without compensation structure. With incident pump energy of 450 mJ per pulse, linearly polarized output energy of 30 mJ per pulse is achieved, the pulse duration is less than 15 ns, and the peak power of pulse is about 2 MW. The extinction ratio of laser beam is better than 10:1, and the beam divergence is 1.3 mrad with beam diameter of around 2.5 mm. (c) 2006 Published by Elsevier B.V.