Electric field effects on roto-vibrational transitions of13CD3OH1

We used a Stark-Optoacoustic cell and hybrid waveguide resonators to perform an Infrared and Far Infrared Stark Spectroscopy study on some transitions of¹³CD₃OH. Different behaviours of the transitions in the presence of a d.c. electric field were observed. The Stark splittings of six FIR laser lines ranging from 34 to 136 MHz/kVcm^–1 were determined. The analysis of the behaviour of the IR and FIR transitions in the presence of the external electric fields gives important and exclusive information on the levels involved in the transitions.Work Supported by FAPESP, CNPq, FAEP - Brazil, and CNR - Italy.     

Complexation of Dimethyl 2,3-Naphthalenedicarboxylate with 2-hydroxypropyl-α-, -β- and -γ-cyclodextrins in Aqueous Solution by Fluorescence,Circular Dichroism and Molecular Mechanics

Fluorescence, circular dichroism and molecular mechanics have been used to study the complexation of 2,3-dimethyl naphthalenedicarboxylate with 2-hydroxypropyl-α-, -β and -γ-cyclodextrins (HPCDs) in aqueous solution. Emission spectra upon excitation of the naphthalenedicarboxylate group show two bands whose intensity ratio R is quite sensitive to polarity. From the change of R and lifetimes averages <τ> with HPCD concentration and temperature were obtained the stoichiometry, the association constants and the enthalpy and entropy changes during the complexation. R, <τ> and the fluorescence anisotropies (r) extrapolated at [HPCD]→∞ allows us to estimate the polarity and microviscosity of the media surrounding the guest when complexed. In addition, the analysis of quenching and induced circular dichroism experiments and molecular mechanics calculations in the presence of water, provide information about the forces responsible for the complexation and the geometry of the complexes.     

Ultrasound promoted synthesis of thioesters from 2-mercaptobenzoxa(thia)zoles

An ultrasound-enhanced method has been developed for the synthesis of a variety of thioesters from benzoyl chlorides and 2-mercaptobenzoxa(thia)zoles. Applying this methodology, 14 compounds were synthesized in excellent yields.     

Combustion wave propagation in mixtures of JSC-1A lunar regolith simulant with magnesium

Combustion of lunar regolith mixed with energetic additives is a potential method for production of construction materials in future moon missions. Recently, self-sustained combustion in the mixtures of JSC-1A lunar regolith and magnesium has been demonstrated. However, the concentration of magnesium in those mixtures was as high as 26 wt%. Note that magnesium must be either transported from Earth or recovered from lunar minerals or used structures. The present paper focuses on the minimization of magnesium content in JSC-1A/Mg mixtures. The mixtures were compacted into pellets and ignited in argon environment. Initial attempts to decrease magnesium concentration resulted in the observations of a spinning combustion wave at 23 wt% Mg. The observed spin combustion involved periodical motion of two counterpropagating hot spots along a helical path on the sample surface. These observations, including features such as formation of a faster hot spot after collision of the counterpropagating spots, confirm theoretical predictions for spin combustion in solid–solid mixtures. High-energy mechanical milling of JSC-1A in a planetary ball mill significantly increased its reactivity and improved combustion of its mixtures with magnesium. Mixtures of the obtained powder (the median diameter of about 3 μm) with 26 wt% Mg exhibit easy ignition and vigorous combustion. The minimum concentration of magnesium required for self-sustained propagation of a planar combustion front is as low as 13 wt%.     

Confirming the lattice contraction in CdSe nanocrystals grown in a glass matrix by Raman scattering

This work gives the evidence of the lattice contraction in CdSe nanocrystals (NCs) grown in a glass matrix. The CdSe NCs were investigated by atomic force microscopy (AFM), optical absorption (OA), and Raman spectroscopy. The average size of CdSe NCs can be estimated by AFM images. Using the OA spectra and the effective‐mass approximation, it was also possible to estimate the average sizes of CdSe NCs, which agree very well with the AFM data. These results showed that the CdSe NCs grow with increasing time of heat treatment. The blue shift of the longitudinal optical (LO) modes and surface optical (SO) phonon modes with an increase in the average radius of the NCs, shown in the Raman spectra, was explained by the lattice contraction in CdSe NCs caused by thermodynamic interactions at the interface with the host glass matrix. Copyright © 2010 John Wiley & Sons, Ltd.     

土壤的光谱特征及氮含量的预测研究

应用近红外光谱分析技术(NIR)测定土壤参数具有快速、方便的特点.文章分析了不同含水率、不同颗粒大小的土壤样本在不同测试角、不同测试高度对土壤光谱的影响,并得到了不同含水率和不同粒径土壤的含氮量预测模型.研究了这些因素对含氮率测量的影响,分析了NIR技术在田间实地应用预测的可能性.研究表明,光谱仪在距土壤高度为100 mm,测试角为45°时,具有最大的吸光度.土壤粒径和含水率这2个参数明显影响,当粒径在0.5～5 mm变化时,含氮量预测相关系数r为0.81左右,当土壤粒径在＜0.25和＞5 mm模型的预测能力变差.当土壤样品呈天然潮湿状态时,氮的预测结果较差.而样品干燥以后,预测相关系数较高.为土壤原位光谱测试提供了依据.     

Surface chemistry and optimization of focused ion beam iodine-enhanced etching of indium phosphide

Focused ion beam physical sputtering and iodine-enhanced etching of indium phosphide (InP) were performed. Up to 15× enhanced etching rates over sputtering were measured at room temperature, due to the addition of iodine to the sputter-process. Reaction mechanisms and products are discussed and characterized. The reaction is limited by the desorption of indium triiodide (InI₃) at room temperature. InI₃ has to be removed by sputtering, which simultaneously amorphizes the underlying substrate. Surface roughness and stoichiometry of InP are compared for sputtering and etching. Gallium-contamination and the damaged zone in InP are significantly reduced by iodine-enhanced etching. Based on the reaction mechanisms, an optimum beam scanning strategy is proposed which allows precise microfabrication in reduced time and minimizes damage to the substrate. The method is also applicable for other halide gas etching processes of III-V semiconductors.     

Strange stars properties calculated in the framework of the Field Correlator Method

We calculate the strange star properties in the framework of the Field Correlator Method. We find that for gluon condensate values G₂$G_2$ in the range 0.006–0.007 GeV⁴$0.006\text{–}0.007{\text{GeV}}^4$, which give a critical temperature Tc∼170 MeV$T_c\sim 170\text{MeV}$ at μc=0${\mu }_c=0$, the sequences of strange stars are compatible with some of the semi-empirical mass–radius relations and data obtained from astrophysical observations.     

Thermal activation and reaction of allyl alcohol on Ni(100)

The thermal chemistry of allyl alcohol (CH₂CHCH₂OH) on a Ni(100) single-crystal surface was studied by the temperature programmed desorption (TPD) and the X-ray photoelectron spectroscopy (XPS). The allyl alcohol adsorbs molecularly on the metal surface at 100 K. Intact molecular desorption from the surface occurs at temperatures around 180 K, but some molecules exhibit chemical reactivity on the surface: activation of the OH, CC, and CO bonds produces η¹(O)-allyloxy CH₂CHCH₂O_(a), η²(C, C) allyl alcohol (C_(a)H₂C_(a)HCH₂OH), and η³(C, C, O)-alkoxide (C_(a)H₂C_(a)CH₂ O_(a)) intermediates. Further thermal activation of allyl alcohol on the surface yields propylene (CH₂CHCH₃), 1-propanol (CH₃CH₂CH₂OH), propanal (CH₃CH₂CHO), and combustion and dehydrogenation products (H₂O, H₂, and CO). Propylene desorbs from the surface at temperatures of around 270 K. Hydrogenation to the η³(C, C, O)-alkoxide intermediate leads to the production of propanal which desorbs from the surface around 320 K, while hydrogenation of the η²(C, C) allyl alcohol intermediate produces 1-propanol, which desorbs at around 310 K. The co-adsorption of hydrogen atoms on the surface enhances the formation of the saturated alcohol, while co-adsorption of oxygen enhances the formation of both the saturated alcohol and the saturated aldehydes.