Equilibrium model of bimodal distributions of epitaxial island growth

We present a nanostructure diagram for use in designing heteroepitaxial systems of quantum dots. The nanostructure diagram is computed using a new equilibrium statistical physics model and predicts the island size and shape distributions for a range of combinations of growth temperature and amount of deposited material. The model is applied to Ge on Si(001), the archetype for bimodal island growth, and the results compare well with data from atomic force microscopy of Ge/Si islands grown by chemical vapor deposition.     

Synthesis of biologically active amines via rhodium-bisphosphite-catalyzed hydroaminomethylation

[reaction: see text] We report the use of a highly regioselective rhodium-bisphosphite catalyst for olefin hydroaminomethylation. This catalyst system was successfully applied in the synthesis of two biologically active tertiary amines, ibutilide and aripiprazole.     

pi-stacking interactions in cis-Bisfullerene

Experimental, molecular modeling, and model compound studies suggest that favorable fullerene[60] pi-stacking interactions in the ground state and in syn-transition states account for the high cis stereoselectivities observed in the reactions between C(60) and 6, 13-disubstituted pentacenes.     

Optical anisotropy of the SiC((001))- (3x2) surface: evidence for the two-adlayer asymmetric-dimer model

The structure of the ( 3x2) reconstruction of beta-SiC(001) surface has been identified by comparing reflectance anisotropy spectra calculated from first principles with recent measurements. Only the calculations for the two-adlayer asymmetric-dimer model agree with experiment. The two prominent peaks at 3.6 and 5.0 eV found experimentally are assigned to electronic transitions between surface and bulklike electronic states. A further pronounced anisotropy at 2.0 eV, due to transitions between surface states, is predicted.     

Selection rules and isotope effects in the full fragmentation of the hydrogen molecule

Selection rules predicting zeros in cross sections for full fragmentation of the hydrogen molecule into specific momentum configurations are presented. Isotope effects are predicted to arise from these selection rules and from the correlated motion of nuclei and electrons in the final state.     

An XPS and ups study of chloride chemisorption on Ag(110)

Chlorine chemisorbs rapidly on Ag(110) at 300 K to a saturation coverage of about one monolayer and with a sticking probability of order unity. The corresponding work function shift is + 1.7 eV. XP and UP spectra are consistent with the presence of a single king of chemisorbed species. It appears that Ag behaves as a single s-band solid and that the adsorbate 3p level is shifted so as to lie in the metal s-band; these observations are in agreement with the recent theoretical predictions of Anderson.     

The extractives of Vitex lucens—I

Vitexin, isolated from Vitex lucens, has been formulated as C₂₁H₂₀O₁₀ and, in agreement with recent workers, structure (I) has been assigned to the compound. β-sitosterol has been isolated from the heartwood.     

Modeling phase separation in nonstoichiometric silica

We have modeled the decomposition of nonstoichiometric amorphous SiOx upon annealing into silicon and stoichiometric silica, using a new method based on mapping Metropolis Monte Carlo simulations onto rate equations. The concentrations of all oxidation states of silicon are derived as a function of time and found to attain steady-state values at long times dependent on temperature T and oxygen content x. The degree of phase separation and the sizes of Si particles are predicted as a function of T and x, enabling greater control over the size of silicon quantum dots in silica matrices.     

Ionization and recombination in intense, short electric field pulses

We investigate ionization and excitation of H(1s) in the limit of very short electric field pulses, analytically and numerically and both in the limit of small and extremely large peak electric fields. We identify a process of recombination akin to Rabi flopping from the continuum and give an analytic expression for this process after a single-cycle strong-field pulse.     

Solution structures of the mixed aggregates derived from lithium acetylides and a camphor-derived amino alkoxide

Low-temperature (6)Li, (13)C, and (15)N NMR spectroscopies reveal that mixtures of lithium cyclopropylacetylide or lithium phenylacetylide (RCCLi) and a vicinal amino alkoxide derived from camphor (R*OLi) in THF/pentane afford an asymmetric (RCCLi)(3)(R*OLi) mixed tetramer and a C(2)-symmetric (RCCLi)(2)(R*OLi)(2) mixed tetramer depending on the stoichiometries. The corresponding (RCCLi)(R*OLi)(3) mixed tetramer is not observed. R*OLi-mediated additions of PhCCLi to benzaldehyde proceed with up to an 8:1 enantiomeric ratio that depend on both the choice of R*OLi and the PhCCLi/R*OLi stoichiometries. The results are considered in light of a previously proposed mechanism for the 1,2-addition to a trifluoromethyl ketone.