Earticle

Dihydrotetraphenylgermole has been synthesized from the reduction of dichlorotetraphenylgermole with lithiumaluminiumhydride. UV-Vis absorption and photoluminescence was measured by using UV-Vis and fluorescence spectroscopy. Nanoparticles of dihydrotetraphenylsilole were synthesized from the mixture solution of water and THF. Photoluminescence behavior of organogermanium nanoparticle was investigated at various water fractions. Critical fraction of water to form organogermanium nanoparticles was 60%. Photoluminescence intensity of organogermanium nanoparticle was increased as the concentration of organogermanium nanocolloids increased. Photoluminescence efficiency of organogermanium nanoparticle at 90% water fraction increased about 100 times compared to that of molecular state.

Nanocrystalline porous silicon surfaces have been used to detect nitroaromatic compounds in vapor phase. The mode of photoluminescence is emphasized as a sensing attitude or detection technique. Quenching of photoluminescence from nanocrystalline porous surfaces as a transduction mode is measured upon the exposure of nitroaromatic compounds. Reversible detection mode for nitroaromatics is, too, observed. To verify the detection afore-mentioned, photoluminescent freshly prepared porous silicons are functionalized with different groups. The mechanism of quenching of photoluminescence is attributed to the electron transfer behaviors of quantum-sized nano-crystallites in the porous silicon matrix to the analytes(nitroaromatics). An attempt has been done to prove that the surface-derivatized photoluminescent porous silicone surfaces can ac

As the etching time is varied, the change of thickness of the porous silicon layers was successfully investigated. The thickness of the PSi layer as a function of anodization time for a p-type substrate that is etched at a constant current density of 50 mA/cm2 in a 35% hydrofluoric acid solution shows a linear relationship between the etching time and the thickness of the PSi layer.

Relationship between etch current and morphology and porosity of porous silicon (PS) has been investigated. The gravimetric method is applied to measured the porosity of PS. As the current density increase, the silicon dissolution rate increases, resulting in a higher porosity and etching rate. The result shows that linear dependence of PS porosity and etching rate as a function of current density. The morphology of porous silicon was investigated by using cold field emission scanning electron micrograph (FE-SEM). The size of pores formed during anodization is predominantly controlled by the current density, with an increase in the pore size corresponding to an increase in the current density.

cis,cis-1,2,3,4-Tetraphenylbutadiene has been synthesized and its optical properties are investigated by using UV-Vis absorption and fluorescence spectroscopy. Thin films of tetraphenylbutadiene prepared from thin layer chromatography(TLC) displays strong luminescence and used for the detection of vapor of organic halide. Tetraphenylbutadiene shows dramatic quenching photoluminescence under exposure of chloroform vapor.

On the surface of mesoporous silica thin films (MSTF) which were fabricated by sol-gel approach there are existences of water and three different silanol types including chained, germinal and isolated silanol. Their amounts changes as a function of aging time of used sol solution, as confirmed by FT-IR. The adsorbed water generates ionic carriers such as H+ and OH- and passivates the Si dangling bonds at the interface of silicon wafer-MSTF. The ionic carriers can not only transport across the thickness of thin film to enhance the leakage current but also diffuse toward the silicon wafer-MSTF interface to depassivate Si dangling bonds. On the other hand, chained silanols or germinal silanols promote the moisture adsorption of MSTF and tend to form strongly hydrogen bonded systems with adsorbed water molecules resulting in very high dielectric constant. Isolated silanol, on the contrary, affects less on electrical properties of thin film.

Calculation of partial charge is important in chemistry. However, because there are many methods developed, it is of considerable interest to know how to calculate and apply properly to address various chemical problems. For basis set, usually double zeta quality is acceptable, and double zeta polarization function would be enough for most cases. To describe electronic state more accurately, Many electron configurations would be necessary to describe highly strained or anionic species. The NPA population introduced new concept about amide bonds, i.e., the planar geometry of nitrogen atom may not come from resonance, but from the lowering of p-orbital energy by electronegative carbonyl carbon atom. The issues for hypervalent atomic charges was also addressed by various charge derivation scheme. When the charge schemes were applied to organolithium compounds, the ionic nature of boding was revealed. This comes from the fact that previous Mulliken partial atomic charges overemphasized the covalent character, without much justification. The other partial charge derivation schemes such as NPA(natural population analysis), IPP (Integrated Projected Population) showed that much more ionic picture. ESP potential derived charges are generally believed to be suitable to describe intermolecular interactions, therefore they are used for molecular dynamics simulations and CoMFA (comparative molecular field analysis). The charge derivation schemes using multipole polarization was mainly applied to reproduce experimental infrared spectroscopy. In some reports these schemes are also suitable for intermecular electrostatic interactions. Charges derived from electron density gradient have shown the some bonds are not straight, but actually bent. The proper choice of charge-calculation method along with suitable level of theory and basis set are briefly discussed.

Partial charge is an important and fundamental concept which can explain many aspects of chemistry. Since a molecule can be regarded as neclei surrounded by electron cloud, there is no way to define a partial charge accurately. Nevertheless, there have been many attempts to define these seemingly impossible parameters, since they would facilitate the understanding of molecular properties such as molecular dipole moment, solvation, hydrogen bonding, molecular spectroscopy, chemical reaction, etc. Common methods are based on the charge equalization, orbital occupancy, charge density, and electric multipole moments, and electrostatic potential fitting. Methods based on the charge equalization using electronegativity are very fast, and therefore they have been used to study many compounds. Methods to subdivide orbital occupancy using basis set conversion, relies on the notion that molecular orbitals are composed of atomic orbitals. The main idea is to reduce overlap integral between two nuclei using converted orthogonal basis sets. Using some quantum mechanical observables like electrostatic potential or charge multipole moments. Using potential grids obtained from wavefunction, partial charges can be fitted. these charges are most useful to describe intermolecular electrostatic interactions. Methods to using dipole moment and its derivatives, seems to be sensitive the level of theory, Dividing electron density using density gradient being the most rigorous theoretically among various schemes, bears best potential to describe the charge the most adequately in the future.

Recently, number of studies for porous silicon have been investigated by many researchers. Multistructured porous silicon (PSi), distributed Bragg reflector (DBR) PSi, has been a topic of interest, because of its unique optical properties. DBR PSi were prepared by an electrochemical etch of P++-type silicon wafer of resistivity between 0.1 mΩcm with square wave current density, resulting two different refractive indices. In this work, We have fabricated a simple and portable organic vapor-sensing device based on DBR porous silicon and investigated the optical characteristics of DBR porous silicon. DBR porous silicon have been characterized by FT-IR, Ocean optics 2000 spectrometer. The device used DBR PSi chip has been demonstrated as an excellent gas sensor, showing a great senstivity to a toxic vapor (TEP, DMMP, DEEP) at room temperature.

In this paper, we study how to use CAS to solve certain minmax problems. More specifically, we reduce some to the problems about the packing of certain convex sets in the plane, and use Recognize algorithm to obtain good hypotheses for results. This method can be widely used to solve same types of mathematical problems.