Room temperature hydrogenation of the Si(001)2 × 1 surface studied by angle-resolved electron energy loss spectroscopy

We observed the hydrogen adsorption on the Si(001)2 × 1 surface achieved at room temperature by angle-resolved electron energy loss spectroscopy (AR-ELS) and elastic low-energy electron diffraction. From measurements of the intensities of elastically diffracted beams, we found a characteristic hydrogen covered surface (called Si(001)2 × 1H(RT) surface in this paper), where all the diffracted beam intensities were enhanced drastically and a sharp 2 × 1 LEED pattern was observed. The angular dependence of the elastically diffracted beams on the 2 × 1H(RT) surface was different from that on the monohydride 2 × 1:H surface. On the 2 × 1H(RT) surface the S₃, transition from the back bond surface state disappeared in contrary to the 2 × 1:H surface and two hydrogen induced transitions were observed at 7.0 and 8.0 eV in AR-ELS spectra. We revealed that the 2 × 1H(RT) surface consisted of the monohydride and the dihydride phases with comparable weights. Additionally, we found the new transition S'₁, ascribed to the newly produced dangling bond surface state due to the rupture of the dimerization bond with hydrogen adsorption.     

The renormalization of the string operator in QCD

We shall observe that the renormalization of the string operator U(x₁, x₂; C) = Pexp{ig∫_x1^x2dx_μA^μ(x)} with an open path C (smooth and non-intersecting) is path-independently performed in any order of perturbation. To demonstrate this, the renormalization constants will be calculated up to order g⁴. Next the renormalization effect on the algebraic identity $\text{U(x}{}_1\text{, x}{}_2\text{;}\text{C}\text{)U(x}{}_2\text{, x}{}_3\text{;}\text{C}\text{) = U(x}{}_1\text{, x}{}_3\text{;}\text{C}\text{∪}\text{C}\text{)}$ will be discussed and it will be proved that the renormalization preserves the algebraic identity in any order of perturbation if the paths C and $\text{C}$ are smoothly connected at x₂. Finally, the string operator renormalization is extended to the case when the path C is smoothly closed (the Wilson loop operator). It is then shown that the renormalization factor which multiplicatively renormalizes the string operator in the case of the open path, is cancelled in any order of perturbation by the divergence appearing in the coincidence of the end points. As a results, the Wilson loop operator can be renormalized by the coupling constant renormalization alone.     

Isomeric metamorphosis: Si3E (E = S, Se, and Te) bicyclo[1.1.0]butane and cyclobutene

Group 14 and 16 hybrid heavy bicyclo[1.1.0]butanes (tBu2MeSi)4Si3E (E = S, Se, and Te) 2a-c have been prepared by the [1 + 2] cycloaddition reaction of trisilirene 1 and the corresponding chalcogen. Bicyclo[1.1.0]butanes 2 have exceedingly short bridging Si-Si bonds (2.2616(19) A for 2b and 2.2771(13) A for 2c), a phenomenon explained by the important contribution of the trisilirene-chalcogen pi-complex character to the overall bonding of 2. Photolysis of 2a and 2b produced their valence isomers, the heavy cyclobutenes 3a and 3b, featuring flat four-membered Si3E rings and a planar geometry of the Si=Si double bond. The mechanism of such isomerization was studied using deuterium-labeled 2a-d6 to ascertain the preference of the pathway, involving the direct concerted symmetry-allowed transformation of bicyclo[1.1.0]butane 2 to cyclobutene 3.     

Sonoluminescence of Na atom from NaCl solutions doped with ethanol

Sonoluminescence spectra from argon-saturated NaCl solution were measured in the concentration range of 0.5-4 M at the frequency of 138 kHz. The line broadening of sodium atom emission was observed at various acoustic powers in the range from 1.8 to 16.2 W. The sodium D line showed a maximum intensity at a NaCl concentration of 2 M, which corresponded to the maximum production of OH radicals estimated by KI dosimetry. The effects of the addition of a small amount of ethanol on the line width and intensity were closely investigated at various acoustic powers. The sodium line width increases with ethanol concentration and also with power, whereas the line intensity is strongly quenched with increasing ethanol concentration. The results conclusively show that the sodium emission occurs in the gas phase within bubbles. The line broadening is due to interactions with high-pressure argon, and the maximum relative density of gas at bubble collapse was estimated to be 59.5 from the comparison with spectroscopic data. Further line broadening and quenching upon the addition of ethanol arise from collisions with gaseous products obtained from the decomposition of ethanol. The mechanism of sodium excitation is inferred to be as follows. Sodium ions enter bubbles as droplets, and salts are formed because of the high temperature within bubbles. Sodium atoms are generated by the dissociation of salts and then undergo electronic excitation by OH and H radicals.     

Pd-P(t-Bu)(3)-catalyzed consecutive cross-coupling of p-phenylenedizinc compound with two different electrophiles leading to unsymmetrically 1,4-disubstituted benzenes

Pd-P(t-Bu)3 was found to be a chemoselective catalyst for the reaction of p-phenylenedizinc compound with equimolar amounts of carbon electrophiles to afford the single cross-coupling products in good yields, effectively suppressing the formation of double cross-coupling products. The subsequent additions of other electrophiles to the resulting solutions caused the second cross-coupling of the incipient products to take place, achieving a novel and efficient one-pot synthesis of unsymmetrically 1,4-disubstituted benzenes. The origin of the observed high chemoselectivity was speculated.     

Self-assembly of acridine orange dye at a mica/solution interface: formation of nanostripe supramolecular architectures

Optical waveguide spectroscopy and atomic force microscopy (AFM) have been used to characterize the supramolecular architectures of acridine orange (AO) dye self-assembled at a mica/aqueous solution interface. Under the saturated adsorption conditions, optical waveguide spectroscopy revealed that the dye formed H-type aggregates at the interface. In situ AFM visualized interesting morphology of the dye aggregates showing nanosized meandering stripes with the width of approximately 1.5 nm (or brightness periodicity of approximately 3 nm). Electrostatic adsorption of the dye cations onto a mica surface as well as the intermolecular pi-pi stacking brought about the ordered nanostructures. We propose an interfacial aggregation model that shows a meandering staircase structure with the intermolecular slip angle of 60 degrees. According to the model, the AO molecule occupies a surface area of about 1.0 nm2.     

Theoretical analysis of concerted and stepwise mechanisms of Diels-Alder reactions of butadiene with silaethylene and disilene

The concerted and the stepwise mechanisms of the Diels-Alder reactions of butadiene with silaethylene and disilene were studied by ab initio MO methods. For the reaction of butadiene and silaethylene, an asymmetric concerted process that is almost stepwise and two stepwise processes were located. For the first step of the stepwise process, the C-Si bond formation is more favorable than the C-C bond formation. The activation energy barrier of the concerted transition state is only 0.89 kcal/mol lower than that of the first-step transition state of the C-Si bond formation for the stepwise process by the CASPT2 calculation level. For the reaction of butadiene and disilene, the activation energy barrier of the concerted-type transition state constrained with Cs symmetry is about 9 kcal/mol higher than that of the stepwise transition state by the CASSCF method. The energy barrier of the first step of the stepwise reaction disappears at the CASPT2/6-311++G(d,p) calculation level including the nondynamical correlation energy, although the reaction of the butadiene with disilene occurs through the stepwise-like process.     

Effects of 2-hydroxypropyl α-cyclodextrin on the radioactive iodine sorption on activated carbon

Journal of Radioanalytical and Nuclear Chemistry - Effect of 2-hydroxypropyl α-cyclodextrin (α-HPCD) on the iodine adsorption onto activated carbon (AC) was investigated. The iodine...