Ab initio simulations of homoepitaxial SiC growth

We present first-principle calculations on the initial stages of SiC homoepitaxial growth on the beta-SiC(111)-(sqrt[3]xsqrt[3]) surface. We show that the nonstoichiometric reconstruction plays a relevant role in favoring the attainment of high-quality films. The motivation is twofold: On one hand, we find that the reconstruction controls the kinetics of adatom incorporation; on the other hand, we observe that the energy gain upon surface stability can induce the reorganization of the deposited material into a crystalline structure, thus revealing that a surface-driven mechanism is able to stabilize defect-free layer deposition on Si-rich surfaces.     

A simple route to syn α-Amino-β-Hydroxy esters by C-2 regioselective opening of a, β-Epoxy esters with metal halides

α,β-Epoxy esters are opened by NaX (X = I, Br) in a regio and stereoselective fashion to β-hydroxy-α-halo esters, which represent suitable precursors of syn α-amino-β-hydroxy esters and β-hydroxy esters.     

CeCl(3) x 7H(2)O-NaI catalyzed hydrooxacyclization of unsaturated 3-hydroxy esters

[reaction: see text] Cerium(III) chloride heptahydrate and sodium iodide in boiling acetonitrile promote cyclization of 3-hydroxyalkenoic acids esters giving 5-substituted tetrahydrofuranacetic acid esters and 6-substituted tetrahydropyranacetic acid esters in fair to good yield and with complete retention of the absolute configuration of the starting 3-hydroxy ester.     

The racemate cage. Influence of p(1),n(1) salt occurrence on enantiomer separation processes. The case of trans-chrysanthemic acid

The occurrence of p(1),n(1) salt when accompanied by substrate self-association can have profound effects on enantiomer separation processes of non-racemic mixtures, impeding the complete recovery of the major enantiomer through formation of an inescapable racemate cage.     

Preparation of new 2‐amino‐ and 2,3‐diamino‐pyridine trifluoroacetyl enamine derivatives and their application to the synthesis of trifluoromethyl‐containing 3H‐pyrido[2,3‐b][1,4] diazepinols

The synthesis of a novel series of the intermediates N²(N³)‐[1‐alkyl(aryl/heteroaryl)‐3‐oxo‐4,4,4‐trifluoroalk‐1‐en‐1‐yl]‐2‐aminopyridines [F₃CC(O)CH?CR¹(2? NH?C₅H₃N)] and 2,3‐diaminopyridines [F₃CC(O)CH?CR¹(2‐NH₂‐3‐NH? C₅H₃N)], where R¹ = H, Me, C₆H₅, 4‐FC₆H₄, 4‐CIC₆H₄, 4‐BrC₆H₄, 4‐CH₃C₆H₄, 4‐OCH₃C₆H₄, 4,4′‐biphenyl, 1‐naphthyl, 2‐thienyl, 2‐furyl, is reported. The corresponding series of 2‐aryl(heteroaryl)‐4‐trifluoromethyl‐3H‐pyrido[2,3‐b][1,4]diazepin‐4‐ols obtained from intramolecular cyclization reaction of the respective trifluoroacetyl enamines or from the direct cyclocondensation reaction of 4‐methoxy‐1,1,1‐trifluoroalk‐3‐en‐2‐ones with 2,3‐diaminopyridine, under mild conditions, is also reported.     

Single-walled carbon nanotubes produced by cw CO2-laser ablation: study of parameters important for their formation

The production of single-walled carbon nanotubes (SWNTs) using the cw CO₂-laser ablation technique is reported. Different metals and metal concentrations in the carbon targets as well as different buffer gases and gas pressures have been used in order to study their influence on the formation of SWNTs. It is shown that the conditions near the evaporation zone, i.e. especially the local temperature environment induced by the laser radiation as well as the used metals play a key role in the formation process of SWNTs. Employing a very simple experimental setup the cw CO₂-laser ablation technique easily provides the environment favorable for the growth of high quality SWNT material under a wide range of experimental conditions.     

Novel Stereocontrolled Preparation of Amino Polyols from 2,3-Aziridine Alcohols

Starting from 2,3-aziridine alcohols, a novel and versatile preparation of optically active amino polyol was achieved using a simple strategy with few purification steps and a good overall yield.